[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol

C14H20ClNO2 — CID 102959940

IUPAC[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol
SMILESCOC1CN(c2ccc(Cl)cc2CO)CCC1C
InChIInChI=1S/C14H20ClNO2/c1-10-5-6-16(8-14(10)18-2)13-4-3-12(15)7-11(13)9-17/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3
InChIKeyKUQRSAYROSMJOM-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.69
Rot. Bonds3

About [5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol

[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol (PubChem CID 102959940) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is [5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol
PubChem CID102959940
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol
SMILESCOC1CN(c2ccc(Cl)cc2CO)CCC1C
InChIInChI=1S/C14H20ClNO2/c1-10-5-6-16(8-14(10)18-2)13-4-3-12(15)7-11(13)9-17/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3
InChIKeyKUQRSAYROSMJOM-UHFFFAOYSA-N
XLogP2.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol 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

[5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 114845724
3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzoic acid
CID 102965809
3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde
CID 102959181
N-[[3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 102961339
1-[4-chloro-2-(chloromethyl)phenyl]-3-methylpyrrolidine
CID 114846443
[1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112624254
2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid
CID 102958674
1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
CID 103196768
1-[4-chloro-2-(chloromethyl)phenyl]-4-methoxypiperidine
CID 114846387
5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955590
[2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol
CID 114219929
[5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol
CID 114218552

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol?
The IUPAC name of [5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol (CID 102959940) is [5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol is COC1CN(c2ccc(Cl)cc2CO)CCC1C.
What is the InChIKey of [5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol?
The InChIKey is KUQRSAYROSMJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10-5-6-16(8-14(10)18-2)13-4-3-12(15)7-11(13)9-17/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3.
What are the key properties of [5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol?
[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol has a molecular weight of 269.77 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 102959940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).