(3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol

C18H20ClNO2 — CID 7439337

IUPAC(3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C18H20ClNO2/c19-15-6-8-17(9-7-15)22-18-5-1-3-14(11-18)12-20-10-2-4-16(21)13-20/h1,3,5-9,11,16,21H,2,4,10,12-13H2/t16-/m0/s1
InChIKeyDLJIWGXIMPFJLY-INIZCTEOSA-N
MW317.82 g/mol
LogP4.09
Rot. Bonds4

About (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol

(3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol (PubChem CID 7439337) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol
PubChem CID7439337
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C18H20ClNO2/c19-15-6-8-17(9-7-15)22-18-5-1-3-14(11-18)12-20-10-2-4-16(21)13-20/h1,3,5-9,11,16,21H,2,4,10,12-13H2/t16-/m0/s1
InChIKeyDLJIWGXIMPFJLY-INIZCTEOSA-N
XLogP4.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]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

(3aS,6aR)-2-[[3-(4-chlorophenoxy)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 139599409
1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-methoxypyrrolidine
CID 74239025
(3R,4R)-1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 28783299
N-[(3S,5R)-1-[[3-(4-chlorophenoxy)phenyl]methyl]-5-hydroxypiperidin-3-yl]cyclobutanecarboxamide
CID 169416036
(3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-1-ium-3-ol
CID 7439336
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
(3R)-1-benzylazepan-3-ol
CID 124585423
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
azepan-1-yl-[1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 90484118
(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine
CID 90725774

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol (CID 7439337) is (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol is O[C@H]1CCCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C1.
What is the InChIKey of (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol?
The InChIKey is DLJIWGXIMPFJLY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20ClNO2/c19-15-6-8-17(9-7-15)22-18-5-1-3-14(11-18)12-20-10-2-4-16(21)13-20/h1,3,5-9,11,16,21H,2,4,10,12-13H2/t16-/m0/s1.
What are the key properties of (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol?
(3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol has a molecular weight of 317.82 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 7439337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).