4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine

C17H21N3 — CID 79311440

IUPAC4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine
SMILESc1ccc(C2CNCCC2c2cncn2C2CC2)cc1
InChIInChI=1S/C17H21N3/c1-2-4-13(5-3-1)16-10-18-9-8-15(16)17-11-19-12-20(17)14-6-7-14/h1-5,11-12,14-16,18H,6-10H2
InChIKeyOITNCRPAPIENCM-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.08
Rot. Bonds3

About 4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine

4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine (PubChem CID 79311440) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine.

Molecular Properties

Compound Name4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine
PubChem CID79311440
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine
SMILESc1ccc(C2CNCCC2c2cncn2C2CC2)cc1
InChIInChI=1S/C17H21N3/c1-2-4-13(5-3-1)16-10-18-9-8-15(16)17-11-19-12-20(17)14-6-7-14/h1-5,11-12,14-16,18H,6-10H2
InChIKeyOITNCRPAPIENCM-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine?
The IUPAC name of 4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine (CID 79311440) is 4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine.
What is the SMILES notation for 4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine?
The canonical SMILES for 4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine is c1ccc(C2CNCCC2c2cncn2C2CC2)cc1.
What is the InChIKey of 4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine?
The InChIKey is OITNCRPAPIENCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-4-13(5-3-1)16-10-18-9-8-15(16)17-11-19-12-20(17)14-6-7-14/h1-5,11-12,14-16,18H,6-10H2.
What are the key properties of 4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine?
4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine has a molecular weight of 267.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine is sourced from PubChem (CID 79311440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).