2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine

C16H24ClNO — CID 117452803

IUPAC2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine
SMILESCOc1cc(C(C)C)c(CC2CCCCN2)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-11(2)14-10-16(19-3)15(17)9-12(14)8-13-6-4-5-7-18-13/h9-11,13,18H,4-8H2,1-3H3
InChIKeyRWTGKIACWYFFBR-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.16
Rot. Bonds4

About 2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine

2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine (PubChem CID 117452803) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine
PubChem CID117452803
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine
SMILESCOc1cc(C(C)C)c(CC2CCCCN2)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-11(2)14-10-16(19-3)15(17)9-12(14)8-13-6-4-5-7-18-13/h9-11,13,18H,4-8H2,1-3H3
InChIKeyRWTGKIACWYFFBR-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117356194
4-chloro-2-(piperidin-2-ylmethyl)-5-propan-2-ylphenol
CID 117423339
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[[4-(difluoromethyl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117459511
2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine
CID 117479519
2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117451779
5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537185
2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117459514
2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine
CID 117494580
2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine
CID 117479585
2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 84700259
N-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]propan-2-amine
CID 70849705

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine?
The IUPAC name of 2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine (CID 117452803) is 2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine is COc1cc(C(C)C)c(CC2CCCCN2)cc1Cl.
What is the InChIKey of 2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine?
The InChIKey is RWTGKIACWYFFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11(2)14-10-16(19-3)15(17)9-12(14)8-13-6-4-5-7-18-13/h9-11,13,18H,4-8H2,1-3H3.
What are the key properties of 2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine?
2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine has a molecular weight of 281.83 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 117452803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).