1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol

C14H20ClNO3 — CID 56884401

IUPAC1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol
SMILESOCC1(O)CCCN(CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO3/c15-12-2-4-13(5-3-12)19-9-8-16-7-1-6-14(18,10-16)11-17/h2-5,17-18H,1,6-11H2
InChIKeyPKFJJILLZOBTSD-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.54
Rot. Bonds5

About 1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol

1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol (PubChem CID 56884401) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol
PubChem CID56884401
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol
SMILESOCC1(O)CCCN(CCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO3/c15-12-2-4-13(5-3-12)19-9-8-16-7-1-6-14(18,10-16)11-17/h2-5,17-18H,1,6-11H2
InChIKeyPKFJJILLZOBTSD-UHFFFAOYSA-N
XLogP1.54
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol 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

1-[2-(4-chlorophenoxy)ethyl]-4-methylazepan-4-ol
CID 107407990
3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 115873813
3-(hydroxymethyl)-1-propylpiperidin-3-ol
CID 130689857
[(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 25305426
(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 23553296
1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 110905104
1-[2-[4-[(Z)-1-(4-chlorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine
CID 155806165
(3S)-3-(hydroxymethyl)-1-[[4-(2-phenylethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 99957922
3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine
CID 121418378
2-[2-(4-chlorophenoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49235631
1-[2-[4-[(Z)-1,2-bis(4-chlorophenyl)prop-1-enyl]phenoxy]ethyl]pyrrolidine
CID 155812406
3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 63136652

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol (CID 56884401) is 1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol is OCC1(O)CCCN(CCOc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol?
The InChIKey is PKFJJILLZOBTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c15-12-2-4-13(5-3-12)19-9-8-16-7-1-6-14(18,10-16)11-17/h2-5,17-18H,1,6-11H2.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol?
1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol has a molecular weight of 285.77 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 56884401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).