1-benzyl-N-butylpiperidin-4-amine

C16H26N2 — CID 11253643

IUPAC1-benzyl-N-butylpiperidin-4-amine
SMILESCCCCNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-2-3-11-17-16-9-12-18(13-10-16)14-15-7-5-4-6-8-15/h4-8,16-17H,2-3,9-14H2,1H3
InChIKeyACBJDBIGMIXXON-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.04
Rot. Bonds6

About 1-benzyl-N-butylpiperidin-4-amine

1-benzyl-N-butylpiperidin-4-amine (PubChem CID 11253643) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-benzyl-N-butylpiperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-butylpiperidin-4-amine
PubChem CID11253643
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-benzyl-N-butylpiperidin-4-amine
SMILESCCCCNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-2-3-11-17-16-9-12-18(13-10-16)14-15-7-5-4-6-8-15/h4-8,16-17H,2-3,9-14H2,1H3
InChIKeyACBJDBIGMIXXON-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.04
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-(4-ethoxybutyl)piperidin-4-amine
CID 167246336
1-benzyl-N-(4-methylpentyl)piperidin-4-amine
CID 60744361
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine
CID 115654108
1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 62538948
1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine
CID 8024741
1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine
CID 103735414
N'-[(3S)-1-benzylpyrrolidin-3-yl]propane-1,3-diamine
CID 54251680
1-benzyl-N-heptan-2-ylpiperidin-4-amine
CID 43081917
3-[2-[(1-benzylpiperidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 103699229
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488
1-benzyl-N-[(1-ethylcyclobutyl)methyl]piperidin-4-amine
CID 103741195

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-butylpiperidin-4-amine?
The IUPAC name of 1-benzyl-N-butylpiperidin-4-amine (CID 11253643) is 1-benzyl-N-butylpiperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-butylpiperidin-4-amine?
The canonical SMILES for 1-benzyl-N-butylpiperidin-4-amine is CCCCNC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-butylpiperidin-4-amine?
The InChIKey is ACBJDBIGMIXXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-3-11-17-16-9-12-18(13-10-16)14-15-7-5-4-6-8-15/h4-8,16-17H,2-3,9-14H2,1H3.
What are the key properties of 1-benzyl-N-butylpiperidin-4-amine?
1-benzyl-N-butylpiperidin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-butylpiperidin-4-amine is sourced from PubChem (CID 11253643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).