1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine

C16H27N3 — CID 142172122

IUPAC1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine
SMILESCc1ccc(C(CN)CCN2CCC(N)CC2)cc1
InChIInChI=1S/C16H27N3/c1-13-2-4-14(5-3-13)15(12-17)6-9-19-10-7-16(18)8-11-19/h2-5,15-16H,6-12,17-18H2,1H3
InChIKeyKWVXSSPMZLTOHY-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.85
Rot. Bonds5

About 1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine

1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine (PubChem CID 142172122) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine
PubChem CID142172122
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine
SMILESCc1ccc(C(CN)CCN2CCC(N)CC2)cc1
InChIInChI=1S/C16H27N3/c1-13-2-4-14(5-3-13)15(12-17)6-9-19-10-7-16(18)8-11-19/h2-5,15-16H,6-12,17-18H2,1H3
InChIKeyKWVXSSPMZLTOHY-UHFFFAOYSA-N
XLogP1.85
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-2-(4-methylphenyl)propan-1-amine
CID 79437228
2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride
CID 53487609
1-[2-(N-ethyl-4-methylanilino)ethyl]piperidin-4-amine
CID 79327765
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
2-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 82083200
3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 113418919
1-[2,2-difluoro-2-(4-methylphenyl)ethyl]piperidin-4-amine
CID 118938556
3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62617209
2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine
CID 116988406
N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206682
1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-amine
CID 28802683
1-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 62618530

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine?
The IUPAC name of 1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine (CID 142172122) is 1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine.
What is the SMILES notation for 1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine?
The canonical SMILES for 1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine is Cc1ccc(C(CN)CCN2CCC(N)CC2)cc1.
What is the InChIKey of 1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine?
The InChIKey is KWVXSSPMZLTOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-2-4-14(5-3-13)15(12-17)6-9-19-10-7-16(18)8-11-19/h2-5,15-16H,6-12,17-18H2,1H3.
What are the key properties of 1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine?
1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-(4-methylphenyl)butyl]piperidin-4-amine is sourced from PubChem (CID 142172122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).