2-[1-(4-methylimidazol-1-yl)ethyl]-1-(3-phenylpropyl)piperidine

C20H29N3 — CID 67666109

IUPAC2-[1-(4-methylimidazol-1-yl)ethyl]-1-(3-phenylpropyl)piperidine
SMILESCc1cn(C(C)C2CCCCN2CCCc2ccccc2)cn1
InChIInChI=1S/C20H29N3/c1-17-15-23(16-21-17)18(2)20-12-6-7-13-22(20)14-8-11-19-9-4-3-5-10-19/h3-5,9-10,15-16,18,20H,6-8,11-14H2,1-2H3
InChIKeyCKXCPHMOWYRYER-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.24
Rot. Bonds6

About 2-[1-(4-methylimidazol-1-yl)ethyl]-1-(3-phenylpropyl)piperidine

2-[1-(4-methylimidazol-1-yl)ethyl]-1-(3-phenylpropyl)piperidine (PubChem CID 67666109) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-[1-(4-methylimidazol-1-yl)ethyl]-1-(3-phenylpropyl)piperidine.

Molecular Properties

Compound Name2-[1-(4-methylimidazol-1-yl)ethyl]-1-(3-phenylpropyl)piperidine
PubChem CID67666109
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name2-[1-(4-methylimidazol-1-yl)ethyl]-1-(3-phenylpropyl)piperidine
SMILESCc1cn(C(C)C2CCCCN2CCCc2ccccc2)cn1
InChIInChI=1S/C20H29N3/c1-17-15-23(16-21-17)18(2)20-12-6-7-13-22(20)14-8-11-19-9-4-3-5-10-19/h3-5,9-10,15-16,18,20H,6-8,11-14H2,1-2H3
InChIKeyCKXCPHMOWYRYER-UHFFFAOYSA-N
XLogP4.24
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-phenylpropyl)-2-propan-2-ylpiperazine
CID 64832545
1-[1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-2-yl]ethanol
CID 111107030
2-(1,3-dioxolan-2-yl)-1-(3-phenylpropyl)piperidine
CID 68901288
2-phenyl-2-[1-(2-phenylethyl)piperidin-2-yl]ethanol
CID 75969231
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750
2-(1-fluoroethyl)-1-[2-(4-fluorophenyl)ethyl]piperidine
CID 174404791
1-[[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 95305742
methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate
CID 61034555
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine
CID 66273007
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
3-[2-(3-phenylpropyl)piperidin-1-yl]propan-1-ol
CID 21153822
3-methyl-1-(3-phenylpropyl)-1,2,4-triazole
CID 58258708

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylimidazol-1-yl)ethyl]-1-(3-phenylpropyl)piperidine?
The IUPAC name of 2-[1-(4-methylimidazol-1-yl)ethyl]-1-(3-phenylpropyl)piperidine (CID 67666109) is 2-[1-(4-methylimidazol-1-yl)ethyl]-1-(3-phenylpropyl)piperidine.
What is the SMILES notation for 2-[1-(4-methylimidazol-1-yl)ethyl]-1-(3-phenylpropyl)piperidine?
The canonical SMILES for 2-[1-(4-methylimidazol-1-yl)ethyl]-1-(3-phenylpropyl)piperidine is Cc1cn(C(C)C2CCCCN2CCCc2ccccc2)cn1.
What is the InChIKey of 2-[1-(4-methylimidazol-1-yl)ethyl]-1-(3-phenylpropyl)piperidine?
The InChIKey is CKXCPHMOWYRYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-17-15-23(16-21-17)18(2)20-12-6-7-13-22(20)14-8-11-19-9-4-3-5-10-19/h3-5,9-10,15-16,18,20H,6-8,11-14H2,1-2H3.
What are the key properties of 2-[1-(4-methylimidazol-1-yl)ethyl]-1-(3-phenylpropyl)piperidine?
2-[1-(4-methylimidazol-1-yl)ethyl]-1-(3-phenylpropyl)piperidine has a molecular weight of 311.47 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylimidazol-1-yl)ethyl]-1-(3-phenylpropyl)piperidine is sourced from PubChem (CID 67666109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).