4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine

C16H20ClN3 — CID 117468071

IUPAC4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine
SMILESCc1nccn1-c1ccc(CC2CCNCC2)cc1Cl
InChIInChI=1S/C16H20ClN3/c1-12-19-8-9-20(12)16-3-2-14(11-15(16)17)10-13-4-6-18-7-5-13/h2-3,8-9,11,13,18H,4-7,10H2,1H3
InChIKeyMLAWHSPQMOSORO-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.38
Rot. Bonds3

About 4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine

4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine (PubChem CID 117468071) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine
PubChem CID117468071
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine
SMILESCc1nccn1-c1ccc(CC2CCNCC2)cc1Cl
InChIInChI=1S/C16H20ClN3/c1-12-19-8-9-20(12)16-3-2-14(11-15(16)17)10-13-4-6-18-7-5-13/h2-3,8-9,11,13,18H,4-7,10H2,1H3
InChIKeyMLAWHSPQMOSORO-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine?
The IUPAC name of 4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine (CID 117468071) is 4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine is Cc1nccn1-c1ccc(CC2CCNCC2)cc1Cl.
What is the InChIKey of 4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine?
The InChIKey is MLAWHSPQMOSORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-12-19-8-9-20(12)16-3-2-14(11-15(16)17)10-13-4-6-18-7-5-13/h2-3,8-9,11,13,18H,4-7,10H2,1H3.
What are the key properties of 4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine?
4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine has a molecular weight of 289.81 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine is sourced from PubChem (CID 117468071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).