1-[4-(2-cyclopropylethyl)phenyl]-3-phenylpiperidine

C22H27N — CID 146208573

IUPAC1-[4-(2-cyclopropylethyl)phenyl]-3-phenylpiperidine
SMILESc1ccc(C2CCCN(c3ccc(CCC4CC4)cc3)C2)cc1
InChIInChI=1S/C22H27N/c1-2-5-20(6-3-1)21-7-4-16-23(17-21)22-14-12-19(13-15-22)11-10-18-8-9-18/h1-3,5-6,12-15,18,21H,4,7-11,16-17H2
InChIKeyKNKHEKOGDQKTCF-UHFFFAOYSA-N
MW305.46 g/mol
LogP5.41
Rot. Bonds5

About 1-[4-(2-cyclopropylethyl)phenyl]-3-phenylpiperidine

1-[4-(2-cyclopropylethyl)phenyl]-3-phenylpiperidine (PubChem CID 146208573) has the molecular formula C22H27N and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-[4-(2-cyclopropylethyl)phenyl]-3-phenylpiperidine.

Molecular Properties

Compound Name1-[4-(2-cyclopropylethyl)phenyl]-3-phenylpiperidine
PubChem CID146208573
Molecular FormulaC22H27N
Molecular Weight305.46 g/mol
Exact Mass305.21
IUPAC Name1-[4-(2-cyclopropylethyl)phenyl]-3-phenylpiperidine
SMILESc1ccc(C2CCCN(c3ccc(CCC4CC4)cc3)C2)cc1
InChIInChI=1S/C22H27N/c1-2-5-20(6-3-1)21-7-4-16-23(17-21)22-14-12-19(13-15-22)11-10-18-8-9-18/h1-3,5-6,12-15,18,21H,4,7-11,16-17H2
InChIKeyKNKHEKOGDQKTCF-UHFFFAOYSA-N
XLogP5.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-aminophenyl)piperidin-3-yl]aniline
CID 151992764
4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine
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2-(3-phenylpiperidin-1-yl)aniline
CID 166583741
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010
2-phenylethylcyclooctane
CID 54073487
(3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine
CID 151743703
4-(2-phenylethyl)-1-sulfanylazepane
CID 123467007
1-iodo-3-(2-phenylethyl)piperidine
CID 57245811
4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol
CID 143402498
4-(3-phenylpyrrolidin-1-yl)benzenecarboximidamide
CID 62132830
ethane;1-phenyl-3-propylpiperidine
CID 123157098
(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine
CID 78935368

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopropylethyl)phenyl]-3-phenylpiperidine?
The IUPAC name of 1-[4-(2-cyclopropylethyl)phenyl]-3-phenylpiperidine (CID 146208573) is 1-[4-(2-cyclopropylethyl)phenyl]-3-phenylpiperidine.
What is the SMILES notation for 1-[4-(2-cyclopropylethyl)phenyl]-3-phenylpiperidine?
The canonical SMILES for 1-[4-(2-cyclopropylethyl)phenyl]-3-phenylpiperidine is c1ccc(C2CCCN(c3ccc(CCC4CC4)cc3)C2)cc1.
What is the InChIKey of 1-[4-(2-cyclopropylethyl)phenyl]-3-phenylpiperidine?
The InChIKey is KNKHEKOGDQKTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N/c1-2-5-20(6-3-1)21-7-4-16-23(17-21)22-14-12-19(13-15-22)11-10-18-8-9-18/h1-3,5-6,12-15,18,21H,4,7-11,16-17H2.
What are the key properties of 1-[4-(2-cyclopropylethyl)phenyl]-3-phenylpiperidine?
1-[4-(2-cyclopropylethyl)phenyl]-3-phenylpiperidine has a molecular weight of 305.46 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropylethyl)phenyl]-3-phenylpiperidine is sourced from PubChem (CID 146208573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).