(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine

C12H15Cl2NO — CID 26190671

IUPAC(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
SMILESClc1ccc(Cl)c(OC[C@H]2CCCNC2)c1
InChIInChI=1S/C12H15Cl2NO/c13-10-3-4-11(14)12(6-10)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2/t9-/m0/s1
InChIKeyGGTVHIXACSWDAZ-VIFPVBQESA-N
MW260.16 g/mol
LogP3.37
Rot. Bonds3

About (3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine

(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine (PubChem CID 26190671) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is (3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
PubChem CID26190671
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
SMILESClc1ccc(Cl)c(OC[C@H]2CCCNC2)c1
InChIInChI=1S/C12H15Cl2NO/c13-10-3-4-11(14)12(6-10)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2/t9-/m0/s1
InChIKeyGGTVHIXACSWDAZ-VIFPVBQESA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-[(2,5-dichlorophenoxy)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

3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449060
(3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine
CID 24774733
(3S)-3-[(2,4-dichlorophenoxy)methyl]pyrrolidine
CID 86320973
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine
CID 58992633
(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
CID 28750104
(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
CID 86320969
(3S)-3-(2,5-dichlorophenoxy)piperidine
CID 26191322
(3S)-3-[(2,4,5-trichlorophenoxy)methyl]pyrrolidine
CID 86320986
(3S)-3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine
CID 24774735
3-[[4-chloro-2-(2-fluoro-6-methoxyphenoxy)phenoxy]methyl]piperidine
CID 68595995

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine?
The IUPAC name of (3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine (CID 26190671) is (3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine.
What is the SMILES notation for (3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine?
The canonical SMILES for (3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine is Clc1ccc(Cl)c(OC[C@H]2CCCNC2)c1.
What is the InChIKey of (3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine?
The InChIKey is GGTVHIXACSWDAZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-10-3-4-11(14)12(6-10)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2/t9-/m0/s1.
What are the key properties of (3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine?
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine has a molecular weight of 260.16 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine is sourced from PubChem (CID 26190671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).