4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol

C20H24ClNO2 — CID 67700079

IUPAC4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol
SMILESOc1ccc(OCCN2CCCCC2C(Cl)c2ccccc2)cc1
InChIInChI=1S/C20H24ClNO2/c21-20(16-6-2-1-3-7-16)19-8-4-5-13-22(19)14-15-24-18-11-9-17(23)10-12-18/h1-3,6-7,9-12,19-20,23H,4-5,8,13-15H2
InChIKeyDONHNIAOLIQTTA-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.61
Rot. Bonds6

About 4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol

4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol (PubChem CID 67700079) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol.

Molecular Properties

Compound Name4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol
PubChem CID67700079
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol
SMILESOc1ccc(OCCN2CCCCC2C(Cl)c2ccccc2)cc1
InChIInChI=1S/C20H24ClNO2/c21-20(16-6-2-1-3-7-16)19-8-4-5-13-22(19)14-15-24-18-11-9-17(23)10-12-18/h1-3,6-7,9-12,19-20,23H,4-5,8,13-15H2
InChIKeyDONHNIAOLIQTTA-UHFFFAOYSA-N
XLogP4.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]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

4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 23294474
4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 67700074
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911014
1-(3-phenoxypropyl)piperidine-2-carbaldehyde
CID 62655361
1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911329
1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911308
1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine
CID 63255626
2-[1-[2-(2-chlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690193
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
(2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine
CID 57340370
2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride
CID 21153796

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol?
The IUPAC name of 4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol (CID 67700079) is 4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol.
What is the SMILES notation for 4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol?
The canonical SMILES for 4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol is Oc1ccc(OCCN2CCCCC2C(Cl)c2ccccc2)cc1.
What is the InChIKey of 4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol?
The InChIKey is DONHNIAOLIQTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c21-20(16-6-2-1-3-7-16)19-8-4-5-13-22(19)14-15-24-18-11-9-17(23)10-12-18/h1-3,6-7,9-12,19-20,23H,4-5,8,13-15H2.
What are the key properties of 4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol?
4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol has a molecular weight of 345.87 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol is sourced from PubChem (CID 67700079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).