2-(3-phenylpiperidin-1-yl)aniline

C17H20N2 — CID 166583741

IUPAC2-(3-phenylpiperidin-1-yl)aniline
SMILESNc1ccccc1N1CCCC(c2ccccc2)C1
InChIInChI=1S/C17H20N2/c18-16-10-4-5-11-17(16)19-12-6-9-15(13-19)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13,18H2
InChIKeyKYAKLPZVIPWMOR-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.65
Rot. Bonds2

About 2-(3-phenylpiperidin-1-yl)aniline

2-(3-phenylpiperidin-1-yl)aniline (PubChem CID 166583741) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(3-phenylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name2-(3-phenylpiperidin-1-yl)aniline
PubChem CID166583741
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name2-(3-phenylpiperidin-1-yl)aniline
SMILESNc1ccccc1N1CCCC(c2ccccc2)C1
InChIInChI=1S/C17H20N2/c18-16-10-4-5-11-17(16)19-12-6-9-15(13-19)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13,18H2
InChIKeyKYAKLPZVIPWMOR-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-(4-phenylpiperidin-1-yl)aniline
CID 139916911
[1-(2-aminophenyl)piperidin-3-yl]methanol
CID 43590222
1-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 54504449
2-(3-phenylmethoxypiperidin-1-yl)aniline
CID 172691855
methanamine;2-pyrrolidin-1-ylaniline
CID 143665772
2-[3-(methylsulfonylmethyl)piperidin-1-yl]aniline
CID 171546472
1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194310
4-[1-(4-aminophenyl)piperidin-3-yl]aniline
CID 151992764
4-fluoro-5-iodo-2-(3-phenylpyrrolidin-1-yl)aniline
CID 66101293
2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline
CID 121201019
4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline
CID 62589445
1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 114677647

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpiperidin-1-yl)aniline?
The IUPAC name of 2-(3-phenylpiperidin-1-yl)aniline (CID 166583741) is 2-(3-phenylpiperidin-1-yl)aniline.
What is the SMILES notation for 2-(3-phenylpiperidin-1-yl)aniline?
The canonical SMILES for 2-(3-phenylpiperidin-1-yl)aniline is Nc1ccccc1N1CCCC(c2ccccc2)C1.
What is the InChIKey of 2-(3-phenylpiperidin-1-yl)aniline?
The InChIKey is KYAKLPZVIPWMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c18-16-10-4-5-11-17(16)19-12-6-9-15(13-19)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13,18H2.
What are the key properties of 2-(3-phenylpiperidin-1-yl)aniline?
2-(3-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-(3-phenylpiperidin-1-yl)aniline is sourced from PubChem (CID 166583741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).