1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine

C18H30N2 — CID 8024741

IUPAC1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine
SMILESCCCC[C@H](C)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-3-4-8-16(2)19-18-11-13-20(14-12-18)15-17-9-6-5-7-10-17/h5-7,9-10,16,18-19H,3-4,8,11-15H2,1-2H3/t16-/m0/s1
InChIKeyXHOPTTCMNJMEQV-INIZCTEOSA-N
MW274.45 g/mol
LogP3.82
Rot. Bonds7

About 1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine

1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine (PubChem CID 8024741) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine
PubChem CID8024741
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine
SMILESCCCC[C@H](C)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-3-4-8-16(2)19-18-11-13-20(14-12-18)15-17-9-6-5-7-10-17/h5-7,9-10,16,18-19H,3-4,8,11-15H2,1-2H3/t16-/m0/s1
InChIKeyXHOPTTCMNJMEQV-INIZCTEOSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-heptan-2-ylpiperidin-4-amine
CID 43081917
2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61211193
1-benzyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidin-3-amine
CID 61471775
1-benzyl-N-butylpiperidin-4-amine
CID 11253643
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-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 6938115

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine (CID 8024741) is 1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine is CCCC[C@H](C)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine?
The InChIKey is XHOPTTCMNJMEQV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-4-8-16(2)19-18-11-13-20(14-12-18)15-17-9-6-5-7-10-17/h5-7,9-10,16,18-19H,3-4,8,11-15H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine?
1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine has a molecular weight of 274.45 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine is sourced from PubChem (CID 8024741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).