4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol

C14H21Cl2NO2 — CID 156723320

IUPAC4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol
SMILESCC1CCCCN1Cc1cc(Cl)c(Cl)cc1O.CO
InChIInChI=1S/C13H17Cl2NO.CH4O/c1-9-4-2-3-5-16(9)8-10-6-11(14)12(15)7-13(10)17;1-2/h6-7,9,17H,2-5,8H2,1H3;2H,1H3
InChIKeyAIBGIGSBHHSCKM-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.68
Rot. Bonds2

About 4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol

4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol (PubChem CID 156723320) has the molecular formula C14H21Cl2NO2 and a molecular weight of 306.23 g/mol. Its IUPAC name is 4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol.

Molecular Properties

Compound Name4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol
PubChem CID156723320
Molecular FormulaC14H21Cl2NO2
Molecular Weight306.23 g/mol
Exact Mass305.09
IUPAC Name4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol
SMILESCC1CCCCN1Cc1cc(Cl)c(Cl)cc1O.CO
InChIInChI=1S/C13H17Cl2NO.CH4O/c1-9-4-2-3-5-16(9)8-10-6-11(14)12(15)7-13(10)17;1-2/h6-7,9,17H,2-5,8H2,1H3;2H,1H3
InChIKeyAIBGIGSBHHSCKM-UHFFFAOYSA-N
XLogP3.68
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;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

2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol
CID 112553673
4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol
CID 82980507
3-chloro-4-[(2-methylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 166594028
1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 141023901
4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol
CID 135888232
4-(7-chloroquinolin-4-yl)-2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenol
CID 135888231
5-methyl-4-[(2-methylpiperidin-1-yl)methyl]furan-2-carbonyl chloride
CID 82042224
[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 102662791
2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol
CID 63254307
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 23566973
(2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine
CID 176781027

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol?
The IUPAC name of 4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol (CID 156723320) is 4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol.
What is the SMILES notation for 4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol?
The canonical SMILES for 4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol is CC1CCCCN1Cc1cc(Cl)c(Cl)cc1O.CO.
What is the InChIKey of 4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol?
The InChIKey is AIBGIGSBHHSCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO.CH4O/c1-9-4-2-3-5-16(9)8-10-6-11(14)12(15)7-13(10)17;1-2/h6-7,9,17H,2-5,8H2,1H3;2H,1H3.
What are the key properties of 4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol?
4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol has a molecular weight of 306.23 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol is sourced from PubChem (CID 156723320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).