1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine

C19H26ClN3 — CID 90494260

IUPAC1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
SMILESCC(C)c1nccn1CC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C19H26ClN3/c1-15(2)19-21-9-12-23(19)13-16-7-10-22(11-8-16)14-17-5-3-4-6-18(17)20/h3-6,9,12,15-16H,7-8,10-11,13-14H2,1-2H3
InChIKeyQJEHLIMQTHVPSP-UHFFFAOYSA-N
MW331.89 g/mol
LogP4.57
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine

1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine (PubChem CID 90494260) has the molecular formula C19H26ClN3 and a molecular weight of 331.89 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
PubChem CID90494260
Molecular FormulaC19H26ClN3
Molecular Weight331.89 g/mol
Exact Mass331.18
IUPAC Name1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
SMILESCC(C)c1nccn1CC1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C19H26ClN3/c1-15(2)19-21-9-12-23(19)13-16-7-10-22(11-8-16)14-17-5-3-4-6-18(17)20/h3-6,9,12,15-16H,7-8,10-11,13-14H2,1-2H3
InChIKeyQJEHLIMQTHVPSP-UHFFFAOYSA-N
XLogP4.57
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494159
1-piperidin-1-yl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494161
1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 90492814
methyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate
CID 90494265
1-(2,3-dihydroindol-1-yl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494169
(3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492826
N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494174
1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494392
(1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56724041
4-[(2-propan-2-ylimidazol-1-yl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 90494377
(4-piperidin-1-ylsulfonylphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492906
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 55090709

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine (CID 90494260) is 1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine is CC(C)c1nccn1CC1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
The InChIKey is QJEHLIMQTHVPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3/c1-15(2)19-21-9-12-23(19)13-16-7-10-22(11-8-16)14-17-5-3-4-6-18(17)20/h3-6,9,12,15-16H,7-8,10-11,13-14H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine?
1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine has a molecular weight of 331.89 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 90494260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).