2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine

C21H27N5 — CID 70732316

IUPAC2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
SMILESCn1ccnc1CCC1CCCCN1Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H27N5/c1-24-14-12-22-21(24)11-10-19-7-5-6-13-25(19)16-18-15-23-26(17-18)20-8-3-2-4-9-20/h2-4,8-9,12,14-15,17,19H,5-7,10-11,13,16H2,1H3
InChIKeyKFLNSVUSVVVLRZ-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.59
Rot. Bonds6

About 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine

2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine (PubChem CID 70732316) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
PubChem CID70732316
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
SMILESCn1ccnc1CCC1CCCCN1Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H27N5/c1-24-14-12-22-21(24)11-10-19-7-5-6-13-25(19)16-18-15-23-26(17-18)20-8-3-2-4-9-20/h2-4,8-9,12,14-15,17,19H,5-7,10-11,13,16H2,1H3
InChIKeyKFLNSVUSVVVLRZ-UHFFFAOYSA-N
XLogP3.59
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole
CID 95595150
(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine
CID 95876965
2-(4-methoxyphenyl)-1-[(1-phenylpyrazol-4-yl)methyl]azepane
CID 18288296
2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 131896236
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 70770431
5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2-oxazole
CID 70756651
[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]methanol
CID 110898884
2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine
CID 95869234
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 78851425
[3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788095
N-[[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223380

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine (CID 70732316) is 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine is Cn1ccnc1CCC1CCCCN1Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine?
The InChIKey is KFLNSVUSVVVLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-24-14-12-22-21(24)11-10-19-7-5-6-13-25(19)16-18-15-23-26(17-18)20-8-3-2-4-9-20/h2-4,8-9,12,14-15,17,19H,5-7,10-11,13,16H2,1H3.
What are the key properties of 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine?
2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine has a molecular weight of 349.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 70732316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).