4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine

C14H20ClNO — CID 117387719

IUPAC4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine
SMILESCOCc1cc(Cl)ccc1CC1CCNCC1
InChIInChI=1S/C14H20ClNO/c1-17-10-13-9-14(15)3-2-12(13)8-11-4-6-16-7-5-11/h2-3,9,11,16H,4-8,10H2,1H3
InChIKeyPUQXWDKQLXNHER-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.03
Rot. Bonds4

About 4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine

4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine (PubChem CID 117387719) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine
PubChem CID117387719
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine
SMILESCOCc1cc(Cl)ccc1CC1CCNCC1
InChIInChI=1S/C14H20ClNO/c1-17-10-13-9-14(15)3-2-12(13)8-11-4-6-16-7-5-11/h2-3,9,11,16H,4-8,10H2,1H3
InChIKeyPUQXWDKQLXNHER-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[4-chloro-2-(methoxymethyl)phenyl]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-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935
4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine
CID 117422106
4-[(5-chloro-3-methoxy-2-methylphenyl)methyl]piperidine
CID 117387723
3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine
CID 83688595
4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine
CID 75357498
4-[[4-(methoxymethyl)phenyl]methyl]piperidine
CID 84786985
4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
CID 117427876
4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 117398047
4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398054
4-[(6-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398051
N-[[5-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620403

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine (CID 117387719) is 4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine is COCc1cc(Cl)ccc1CC1CCNCC1.
What is the InChIKey of 4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine?
The InChIKey is PUQXWDKQLXNHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-17-10-13-9-14(15)3-2-12(13)8-11-4-6-16-7-5-11/h2-3,9,11,16H,4-8,10H2,1H3.
What are the key properties of 4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine?
4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine has a molecular weight of 253.77 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-2-(methoxymethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117387719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).