[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol

C13H18ClNO — CID 47035134

IUPAC[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C13H18ClNO/c14-13-3-1-2-12(8-13)9-15-6-4-11(10-16)5-7-15/h1-3,8,11,16H,4-7,9-10H2
InChIKeyQRHUJQBRDLNGEC-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.54
Rot. Bonds3

About [1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol

[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol (PubChem CID 47035134) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
PubChem CID47035134
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C13H18ClNO/c14-13-3-1-2-12(8-13)9-15-6-4-11(10-16)5-7-15/h1-3,8,11,16H,4-7,9-10H2
InChIKeyQRHUJQBRDLNGEC-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(3-chlorophenyl)methyl]piperidin-4-yl]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

4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
3-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropanoic acid
CID 83983457
4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 106838072
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900654
3-[(3-chlorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927254
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 114858032
1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 51063843

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol (CID 47035134) is [1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol is OCC1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol?
The InChIKey is QRHUJQBRDLNGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-13-3-1-2-12(8-13)9-15-6-4-11(10-16)5-7-15/h1-3,8,11,16H,4-7,9-10H2.
What are the key properties of [1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol?
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol has a molecular weight of 239.75 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 47035134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).