N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine

C17H26N2 — CID 103902375

IUPACN-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine
SMILESc1ccc(N2CCC(NCCCC3CC3)CC2)cc1
InChIInChI=1S/C17H26N2/c1-2-6-17(7-3-1)19-13-10-16(11-14-19)18-12-4-5-15-8-9-15/h1-3,6-7,15-16,18H,4-5,8-14H2
InChIKeyXHXGFZSCWMAHES-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.44
Rot. Bonds6

About N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine

N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine (PubChem CID 103902375) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine
PubChem CID103902375
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine
SMILESc1ccc(N2CCC(NCCCC3CC3)CC2)cc1
InChIInChI=1S/C17H26N2/c1-2-6-17(7-3-1)19-13-10-16(11-14-19)18-12-4-5-15-8-9-15/h1-3,6-7,15-16,18H,4-5,8-14H2
InChIKeyXHXGFZSCWMAHES-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.44
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

N-[3-(cyclopropylmethoxy)propyl]-1-phenylpiperidin-4-amine
CID 103776355
N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine
CID 103779062
2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid
CID 122127131
N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 103775963
4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 102672687
N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830
1-phenyl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 103775425
N-but-2-ynyl-1-phenylpiperidin-4-amine
CID 103905898
2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol
CID 103904032
N-[(2-methylcyclopropyl)methyl]-1-phenylpiperidin-4-amine
CID 103779083
N-(4-phenylbutyl)-1-(4-phenylmethoxyphenyl)piperidin-4-amine
CID 21260549
N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine
CID 102613559

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine?
The IUPAC name of N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine (CID 103902375) is N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine?
The canonical SMILES for N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine is c1ccc(N2CCC(NCCCC3CC3)CC2)cc1.
What is the InChIKey of N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine?
The InChIKey is XHXGFZSCWMAHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-6-17(7-3-1)19-13-10-16(11-14-19)18-12-4-5-15-8-9-15/h1-3,6-7,15-16,18H,4-5,8-14H2.
What are the key properties of N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine?
N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine has a molecular weight of 258.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine is sourced from PubChem (CID 103902375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).