2-(4-phenylpiperidin-1-yl)aniline

C17H20N2 — CID 139916911

IUPAC2-(4-phenylpiperidin-1-yl)aniline
SMILESNc1ccccc1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H20N2/c18-16-8-4-5-9-17(16)19-12-10-15(11-13-19)14-6-2-1-3-7-14/h1-9,15H,10-13,18H2
InChIKeyPHNLAYLQYAMBSX-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.65
Rot. Bonds2

About 2-(4-phenylpiperidin-1-yl)aniline

2-(4-phenylpiperidin-1-yl)aniline (PubChem CID 139916911) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(4-phenylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name2-(4-phenylpiperidin-1-yl)aniline
PubChem CID139916911
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2-(4-phenylpiperidin-1-yl)aniline
SMILESNc1ccccc1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H20N2/c18-16-8-4-5-9-17(16)19-12-10-15(11-13-19)14-6-2-1-3-7-14/h1-9,15H,10-13,18H2
InChIKeyPHNLAYLQYAMBSX-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenylpiperidin-1-yl)aniline
CID 166583741
2-(4-phenylpiperidin-1-yl)benzoic acid
CID 125468631
5-chloro-2-methanimidoyl-3-(4-phenylpiperidin-1-yl)aniline
CID 121325864
5-[1-(2-aminophenyl)piperidin-4-yl]thiophene-2-carboxamide
CID 174480968
methanamine;2-pyrrolidin-1-ylaniline
CID 143665772
4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine
CID 154349377
1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine
CID 156786556
2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline
CID 121201019
1-bromo-4-phenylpiperidine
CID 89020756
1-fluoro-4-phenylpiperidine
CID 143940552
benzene;cyclopropylbenzene
CID 144638417
3-methyl-4-(4-phenylpiperidin-1-yl)pyridine
CID 137318862

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperidin-1-yl)aniline?
The IUPAC name of 2-(4-phenylpiperidin-1-yl)aniline (CID 139916911) is 2-(4-phenylpiperidin-1-yl)aniline.
What is the SMILES notation for 2-(4-phenylpiperidin-1-yl)aniline?
The canonical SMILES for 2-(4-phenylpiperidin-1-yl)aniline is Nc1ccccc1N1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylpiperidin-1-yl)aniline?
The InChIKey is PHNLAYLQYAMBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c18-16-8-4-5-9-17(16)19-12-10-15(11-13-19)14-6-2-1-3-7-14/h1-9,15H,10-13,18H2.
What are the key properties of 2-(4-phenylpiperidin-1-yl)aniline?
2-(4-phenylpiperidin-1-yl)aniline has a molecular weight of 252.36 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperidin-1-yl)aniline is sourced from PubChem (CID 139916911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).