1-benzyl-N-heptan-2-ylpiperidin-4-amine

C19H32N2 — CID 43081917

IUPAC1-benzyl-N-heptan-2-ylpiperidin-4-amine
SMILESCCCCCC(C)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H32N2/c1-3-4-6-9-17(2)20-19-12-14-21(15-13-19)16-18-10-7-5-8-11-18/h5,7-8,10-11,17,19-20H,3-4,6,9,12-16H2,1-2H3
InChIKeyYHXDPCVAWQRDLG-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.21
Rot. Bonds8

About 1-benzyl-N-heptan-2-ylpiperidin-4-amine

1-benzyl-N-heptan-2-ylpiperidin-4-amine (PubChem CID 43081917) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-benzyl-N-heptan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-heptan-2-ylpiperidin-4-amine
PubChem CID43081917
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-benzyl-N-heptan-2-ylpiperidin-4-amine
SMILESCCCCCC(C)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H32N2/c1-3-4-6-9-17(2)20-19-12-14-21(15-13-19)16-18-10-7-5-8-11-18/h5,7-8,10-11,17,19-20H,3-4,6,9,12-16H2,1-2H3
InChIKeyYHXDPCVAWQRDLG-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine
CID 8024741
N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61211193
2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
1-ethyl-N-octan-2-ylpiperidin-4-amine
CID 43223034
1-benzyl-N-butylpiperidin-4-amine
CID 11253643
1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine
CID 61471775
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
1-benzyl-N-(4-methylpentyl)piperidin-4-amine
CID 60744361
1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine
CID 43363145
4-N-(1-benzylpiperidin-3-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 113222336
1-methyl-N-nonan-2-ylpiperidin-4-amine
CID 43373312

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-heptan-2-ylpiperidin-4-amine?
The IUPAC name of 1-benzyl-N-heptan-2-ylpiperidin-4-amine (CID 43081917) is 1-benzyl-N-heptan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-heptan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-benzyl-N-heptan-2-ylpiperidin-4-amine is CCCCCC(C)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-heptan-2-ylpiperidin-4-amine?
The InChIKey is YHXDPCVAWQRDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-4-6-9-17(2)20-19-12-14-21(15-13-19)16-18-10-7-5-8-11-18/h5,7-8,10-11,17,19-20H,3-4,6,9,12-16H2,1-2H3.
What are the key properties of 1-benzyl-N-heptan-2-ylpiperidin-4-amine?
1-benzyl-N-heptan-2-ylpiperidin-4-amine has a molecular weight of 288.48 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-heptan-2-ylpiperidin-4-amine is sourced from PubChem (CID 43081917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).