4-[(3-chlorophenoxy)methyl]piperidine

C12H16ClNO — CID 26191052

IUPAC4-[(3-chlorophenoxy)methyl]piperidine
SMILESClc1cccc(OCC2CCNCC2)c1
InChIInChI=1S/C12H16ClNO/c13-11-2-1-3-12(8-11)15-9-10-4-6-14-7-5-10/h1-3,8,10,14H,4-7,9H2
InChIKeyJRKWHWMRJYOIEA-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.72
Rot. Bonds3

About 4-[(3-chlorophenoxy)methyl]piperidine

4-[(3-chlorophenoxy)methyl]piperidine (PubChem CID 26191052) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)methyl]piperidine
PubChem CID26191052
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name4-[(3-chlorophenoxy)methyl]piperidine
SMILESClc1cccc(OCC2CCNCC2)c1
InChIInChI=1S/C12H16ClNO/c13-11-2-1-3-12(8-11)15-9-10-4-6-14-7-5-10/h1-3,8,10,14H,4-7,9H2
InChIKeyJRKWHWMRJYOIEA-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(3-chlorophenoxy)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

3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207
3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride
CID 86262193
3-(piperidin-4-ylmethoxy)aniline
CID 89233329
3-[(3-chlorophenoxy)methyl]oxetane
CID 116820115
4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047
3-[(3-bromophenoxy)methyl]pyrrolidine
CID 56830201
4-[[3-chloro-5-(cyclobutylmethoxy)phenyl]methyl]piperidine
CID 117474195
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
CID 56831093
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
4-[2-[(3-chlorophenoxy)methyl]thiophen-3-yl]piperidine
CID 53390786
(3S)-3-[(3-ethylphenoxy)methyl]pyrrolidine;hydrochloride
CID 165429467
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]piperidine?
The IUPAC name of 4-[(3-chlorophenoxy)methyl]piperidine (CID 26191052) is 4-[(3-chlorophenoxy)methyl]piperidine.
What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]piperidine?
The canonical SMILES for 4-[(3-chlorophenoxy)methyl]piperidine is Clc1cccc(OCC2CCNCC2)c1.
What is the InChIKey of 4-[(3-chlorophenoxy)methyl]piperidine?
The InChIKey is JRKWHWMRJYOIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-11-2-1-3-12(8-11)15-9-10-4-6-14-7-5-10/h1-3,8,10,14H,4-7,9H2.
What are the key properties of 4-[(3-chlorophenoxy)methyl]piperidine?
4-[(3-chlorophenoxy)methyl]piperidine has a molecular weight of 225.72 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenoxy)methyl]piperidine is sourced from PubChem (CID 26191052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).