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Chemical ID: 4253515
Chemical ID:
4253515
Name [?]:
4-benzylpiperidine
SMILES [?]:
c1ccc(cc1)CC2CCNCC2
InChi [?]:
InChI=1/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,9,13,10,12,7,4,8,11/E:(2,3)(4,5)(6,7)(8,9)/rA:13nCCCCCCCCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17N |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.79141 |
Area: | 350.168 |
Solvation: | -0.962792 |
Coulombic: | -10.994 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 175.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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