4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine

C16H27N3 — CID 55030312

IUPAC4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine
SMILESCCCNC1(CN)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-2-10-18-16(14-17)8-11-19(12-9-16)13-15-6-4-3-5-7-15/h3-7,18H,2,8-14,17H2,1H3
InChIKeyDXBHLRHIGWRPRV-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.98
Rot. Bonds6

About 4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine

4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine (PubChem CID 55030312) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine
PubChem CID55030312
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine
SMILESCCCNC1(CN)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-2-10-18-16(14-17)8-11-19(12-9-16)13-15-6-4-3-5-7-15/h3-7,18H,2,8-14,17H2,1H3
InChIKeyDXBHLRHIGWRPRV-UHFFFAOYSA-N
XLogP1.98
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-benzyl-N-prop-2-enylpiperidin-4-amine
CID 65382815
2-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]ethanol
CID 65380537
5-[[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]amino]pentan-1-ol
CID 107316927
4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine
CID 65384423
ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate
CID 60796783
2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol
CID 65234970
[1-benzyl-4-(benzylamino)piperidin-4-yl]methanol
CID 22359957
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
[1-benzyl-4-(2-methylpropylamino)piperidin-4-yl]methanol
CID 61056770
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate
CID 22360002
(1-benzyl-4-methylsulfonylpiperidin-4-yl)methanamine
CID 99997092

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine (CID 55030312) is 4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine is CCCNC1(CN)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine?
The InChIKey is DXBHLRHIGWRPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-10-18-16(14-17)8-11-19(12-9-16)13-15-6-4-3-5-7-15/h3-7,18H,2,8-14,17H2,1H3.
What are the key properties of 4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine?
4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine is sourced from PubChem (CID 55030312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).