1-benzyl-N-(4-methylpentyl)piperidin-4-amine

C18H30N2 — CID 60744361

IUPAC1-benzyl-N-(4-methylpentyl)piperidin-4-amine
SMILESCC(C)CCCNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-16(2)7-6-12-19-18-10-13-20(14-11-18)15-17-8-4-3-5-9-17/h3-5,8-9,16,18-19H,6-7,10-15H2,1-2H3
InChIKeyBDSREQCWENWFAM-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.68
Rot. Bonds7

About 1-benzyl-N-(4-methylpentyl)piperidin-4-amine

1-benzyl-N-(4-methylpentyl)piperidin-4-amine (PubChem CID 60744361) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-benzyl-N-(4-methylpentyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(4-methylpentyl)piperidin-4-amine
PubChem CID60744361
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-benzyl-N-(4-methylpentyl)piperidin-4-amine
SMILESCC(C)CCCNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-16(2)7-6-12-19-18-10-13-20(14-11-18)15-17-8-4-3-5-9-17/h3-5,8-9,16,18-19H,6-7,10-15H2,1-2H3
InChIKeyBDSREQCWENWFAM-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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-butylpiperidin-4-amine
CID 11253643
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-(4-ethoxybutyl)piperidin-4-amine
CID 167246336
N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425638
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
N'-[(3S)-1-benzylpyrrolidin-3-yl]propane-1,3-diamine
CID 54251680
1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine
CID 115654108
1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine
CID 8024741
5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol
CID 107267756
3-[2-[(1-benzylpiperidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 103699229
1-benzyl-N-heptan-2-ylpiperidin-4-amine
CID 43081917
1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 60694335

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-methylpentyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(4-methylpentyl)piperidin-4-amine (CID 60744361) is 1-benzyl-N-(4-methylpentyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(4-methylpentyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(4-methylpentyl)piperidin-4-amine is CC(C)CCCNC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-(4-methylpentyl)piperidin-4-amine?
The InChIKey is BDSREQCWENWFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-16(2)7-6-12-19-18-10-13-20(14-11-18)15-17-8-4-3-5-9-17/h3-5,8-9,16,18-19H,6-7,10-15H2,1-2H3.
What are the key properties of 1-benzyl-N-(4-methylpentyl)piperidin-4-amine?
1-benzyl-N-(4-methylpentyl)piperidin-4-amine has a molecular weight of 274.45 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-methylpentyl)piperidin-4-amine is sourced from PubChem (CID 60744361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).