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Chemical ID: 6661001
Chemical ID:
6661001
Name [?]:
4-(2-hydroxyethyl)-N-(4-isopropylphenyl)-piperazine-1-carboxamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)N2CCN(CC2)CCO
InChi [?]:
InChI=1/C16H25N3O2/c1-13(2)14-3-5-15(6-4-14)17-16(21)19-9-7-18(8-10-19)11-12-20/h3-6,13,20H,7-12H2,1-2H3,(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,3,5,9,6,8,15,17,14,18,19,20,2,4,7,11,10,16,13,21,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:21nCCCCCCCCCNCONCCNCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25N3O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.69603 |
Area: | 507.74 |
Solvation: | -3.99748 |
Coulombic: | -51.2197 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 291.389 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.4 |
LogP (Chemaxon): | 2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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