4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine

C21H26N2 — CID 154349377

IUPAC4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine
SMILESc1ccc(C2CCN(c3ccc(N4CCCC4)cc3)CC2)cc1
InChIInChI=1S/C21H26N2/c1-2-6-18(7-3-1)19-12-16-23(17-13-19)21-10-8-20(9-11-21)22-14-4-5-15-22/h1-3,6-11,19H,4-5,12-17H2
InChIKeyLUWSYHVRWUHACR-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.67
Rot. Bonds3

About 4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine

4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine (PubChem CID 154349377) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine.

Molecular Properties

Compound Name4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine
PubChem CID154349377
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine
SMILESc1ccc(C2CCN(c3ccc(N4CCCC4)cc3)CC2)cc1
InChIInChI=1S/C21H26N2/c1-2-6-18(7-3-1)19-12-16-23(17-13-19)21-10-8-20(9-11-21)22-14-4-5-15-22/h1-3,6-11,19H,4-5,12-17H2
InChIKeyLUWSYHVRWUHACR-UHFFFAOYSA-N
XLogP4.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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CID 138735126
1-(4-phenylpiperidin-1-yl)azepane
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1-[4-(4-hydroxycyclohexyl)phenyl]piperidin-4-ol
CID 54277612
1-fluoro-4-phenylpiperidine
CID 143940552
1-bromo-4-phenylpiperidine
CID 89020756
1-(4-piperidin-1-ylphenyl)piperidin-4-ol
CID 82090298
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
benzene;cyclopropylbenzene
CID 144638417
1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine
CID 24806102
1-phenyl-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine
CID 1317152
1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine
CID 96781240
trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 659840

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine?
The IUPAC name of 4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine (CID 154349377) is 4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine.
What is the SMILES notation for 4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine?
The canonical SMILES for 4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine is c1ccc(C2CCN(c3ccc(N4CCCC4)cc3)CC2)cc1.
What is the InChIKey of 4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine?
The InChIKey is LUWSYHVRWUHACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-2-6-18(7-3-1)19-12-16-23(17-13-19)21-10-8-20(9-11-21)22-14-4-5-15-22/h1-3,6-11,19H,4-5,12-17H2.
What are the key properties of 4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine?
4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine has a molecular weight of 306.45 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine is sourced from PubChem (CID 154349377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).