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Chemical ID: 5168354
Chemical ID:
5168354
Name [?]:
1-tetralin-1-ylpiperazine
SMILES [?]:
c1cc2c(c(c1)N3CCNCC3)CCCC2
InChi [?]:
InChI=1/C14H20N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h3,5,7,15H,1-2,4,6,8-11H2
InChi Info:
AuxInfo=1/0/N:15,14,1,16,2,13,6,9,11,8,12,3,4,5,10,7/E:(8,9)(10,11)/rA:16nCCCCCCNCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;s4;s13;s14;s3s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.33138 |
Area: | 384.932 |
Solvation: | -1.29193 |
Coulombic: | -16.0931 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 216.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.89 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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