2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol

C13H18ClNO — CID 112553322

IUPAC2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol
SMILESCC1CCCN(Cc2cccc(Cl)c2O)C1
InChIInChI=1S/C13H18ClNO/c1-10-4-3-7-15(8-10)9-11-5-2-6-12(14)13(11)16/h2,5-6,10,16H,3-4,7-9H2,1H3
InChIKeyYSZSUYHWVZMGKQ-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.28
Rot. Bonds2

About 2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol

2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol (PubChem CID 112553322) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol
PubChem CID112553322
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol
SMILESCC1CCCN(Cc2cccc(Cl)c2O)C1
InChIInChI=1S/C13H18ClNO/c1-10-4-3-7-15(8-10)9-11-5-2-6-12(14)13(11)16/h2,5-6,10,16H,3-4,7-9H2,1H3
InChIKeyYSZSUYHWVZMGKQ-UHFFFAOYSA-N
XLogP3.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol 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

(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol
CID 112553673
2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol
CID 103542192
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
CID 144850667
2-chloro-6-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenol
CID 114272041
2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane
CID 145106063
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55069877
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
1-benzyl-3-methylpiperidine
CID 2794856
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol
CID 112553476

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol (CID 112553322) is 2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol is CC1CCCN(Cc2cccc(Cl)c2O)C1.
What is the InChIKey of 2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol?
The InChIKey is YSZSUYHWVZMGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-4-3-7-15(8-10)9-11-5-2-6-12(14)13(11)16/h2,5-6,10,16H,3-4,7-9H2,1H3.
What are the key properties of 2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol?
2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol has a molecular weight of 239.75 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 112553322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).