(2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidine

C18H20ClNO2 — CID 46888148

IUPAC(2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidine
SMILESClc1ccc(Oc2ccc(OC[C@@H]3CCCCN3)cc2)cc1
InChIInChI=1S/C18H20ClNO2/c19-14-4-6-17(7-5-14)22-18-10-8-16(9-11-18)21-13-15-3-1-2-12-20-15/h4-11,15,20H,1-3,12-13H2/t15-/m0/s1
InChIKeyVDDNNPXCPZYIDH-HNNXBMFYSA-N
MW317.82 g/mol
LogP4.65
Rot. Bonds5

About (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidine

(2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidine (PubChem CID 46888148) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidine
PubChem CID46888148
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidine
SMILESClc1ccc(Oc2ccc(OC[C@@H]3CCCCN3)cc2)cc1
InChIInChI=1S/C18H20ClNO2/c19-14-4-6-17(7-5-14)22-18-10-8-16(9-11-18)21-13-15-3-1-2-12-20-15/h4-11,15,20H,1-3,12-13H2/t15-/m0/s1
InChIKeyVDDNNPXCPZYIDH-HNNXBMFYSA-N
XLogP4.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidine 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

(S)-2-((4-phenoxyphenoxy)methyl)piperidine
CID 29293599
(R)-2-((4-phenoxyphenoxy)methyl)piperidine
CID 29293603
(R/S)-2-((4-phenoxyphenoxy)methyl)piperidine
CID 45253769
[2-(4-Chloro-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10315310
[2-(3-Chloro-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10733406
[2-(4-Chloro-phenoxy)-ethyl]-[3-(4-fluoro-phenoxy)-propyl]-amine
CID 10734727
4-[2-(4-Chlorophenoxy)ethyl]morpholine
CID 868407
1-(2-(4-Chlorophenoxy)ethyl)piperazine
CID 894310
2-(4-chlorophenoxy)-N-(4-(2-(4-chlorophenoxy)acetamido)cyclohexyl)acetamide
CID 1011240
[2-(2-Chloro-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10780942
(R)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrrolidine
CID 42641832
(S)-4-(2-((4-(4-chlorophenoxy)phenoxy)methyl)piperidin-1-yl)butanoic acid
CID 46861647

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidine?
The IUPAC name of (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidine (CID 46888148) is (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidine.
What is the SMILES notation for (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidine?
The canonical SMILES for (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidine is Clc1ccc(Oc2ccc(OC[C@@H]3CCCCN3)cc2)cc1.
What is the InChIKey of (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidine?
The InChIKey is VDDNNPXCPZYIDH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c19-14-4-6-17(7-5-14)22-18-10-8-16(9-11-18)21-13-15-3-1-2-12-20-15/h4-11,15,20H,1-3,12-13H2/t15-/m0/s1.
What are the key properties of (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidine?
(2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidine has a molecular weight of 317.82 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidine is sourced from PubChem (CID 46888148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).