2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine

C18H30N2 — CID 62418678

IUPAC2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-15(2)19-14-16(3)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
InChIKeySXDIAAGRQMVCIK-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.33
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine

2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 62418678) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
PubChem CID62418678
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-15(2)19-14-16(3)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
InChIKeySXDIAAGRQMVCIK-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
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
2-(4-benzylpiperidin-1-yl)propan-1-amine
CID 16642433
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384
3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine
CID 79415056
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
2-(4-benzylpiperidin-1-yl)pentan-3-amine
CID 43346352
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
1-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one
CID 13345092
4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CID 138753340
N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine
CID 62439844

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine (CID 62418678) is 2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is SXDIAAGRQMVCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(2)19-14-16(3)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 2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine?
2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62418678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).