1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine

C19H24ClN3 — CID 70716309

IUPAC1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine
SMILESClc1cccc(CN2CCCC(c3nccn3CC3CC3)C2)c1
InChIInChI=1S/C19H24ClN3/c20-18-5-1-3-16(11-18)12-22-9-2-4-17(14-22)19-21-8-10-23(19)13-15-6-7-15/h1,3,5,8,10-11,15,17H,2,4,6-7,9,12-14H2
InChIKeyGUHLGSKPTXEWRA-UHFFFAOYSA-N
MW329.88 g/mol
LogP4.33
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine

1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine (PubChem CID 70716309) has the molecular formula C19H24ClN3 and a molecular weight of 329.88 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine
PubChem CID70716309
Molecular FormulaC19H24ClN3
Molecular Weight329.88 g/mol
Exact Mass329.17
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine
SMILESClc1cccc(CN2CCCC(c3nccn3CC3CC3)C2)c1
InChIInChI=1S/C19H24ClN3/c20-18-5-1-3-16(11-18)12-22-9-2-4-17(14-22)19-21-8-10-23(19)13-15-6-7-15/h1,3,5,8,10-11,15,17H,2,4,6-7,9,12-14H2
InChIKeyGUHLGSKPTXEWRA-UHFFFAOYSA-N
XLogP4.33
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.88
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine
CID 97202491
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 97282581
3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine
CID 70726892
3-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 75870689
1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine
CID 83996341
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 16802957
(3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96575384
3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 70722751
4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 70726995
4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 96574055
2-(4-chlorophenoxy)-1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 96581238

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine (CID 70716309) is 1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine is Clc1cccc(CN2CCCC(c3nccn3CC3CC3)C2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine?
The InChIKey is GUHLGSKPTXEWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3/c20-18-5-1-3-16(11-18)12-22-9-2-4-17(14-22)19-21-8-10-23(19)13-15-6-7-15/h1,3,5,8,10-11,15,17H,2,4,6-7,9,12-14H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine?
1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine has a molecular weight of 329.88 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine is sourced from PubChem (CID 70716309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).