3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine

C18H30N2 — CID 79415056

IUPAC3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine
SMILESCNCC(C)C(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-15(14-19-3)16(2)20-11-9-18(10-12-20)13-17-7-5-4-6-8-17/h4-8,15-16,18-19H,9-14H2,1-3H3
InChIKeyZXWJJIWKSHWWIR-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.19
Rot. Bonds6

About 3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine

3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine (PubChem CID 79415056) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine
PubChem CID79415056
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine
SMILESCNCC(C)C(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-15(14-19-3)16(2)20-11-9-18(10-12-20)13-17-7-5-4-6-8-17/h4-8,15-16,18-19H,9-14H2,1-3H3
InChIKeyZXWJJIWKSHWWIR-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62418483
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62418678
2-(4-benzylpiperidin-1-yl)propan-1-amine
CID 16642433
2-(4-benzylpiperidin-1-yl)pentan-3-amine
CID 43346352
1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196158
4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CID 138753340
(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol
CID 45258690
2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119502046
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine (CID 79415056) is 3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine is CNCC(C)C(C)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is ZXWJJIWKSHWWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(14-19-3)16(2)20-11-9-18(10-12-20)13-17-7-5-4-6-8-17/h4-8,15-16,18-19H,9-14H2,1-3H3.
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine?
3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 79415056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).