(3S)-3-(2,5-dichlorophenyl)piperidine

C11H13Cl2N — CID 93478490

IUPAC(3S)-3-(2,5-dichlorophenyl)piperidine
SMILESClc1ccc(Cl)c([C@@H]2CCCNC2)c1
InChIInChI=1S/C11H13Cl2N/c12-9-3-4-11(13)10(6-9)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m1/s1
InChIKeyKXSUSUSXHKVIHR-MRVPVSSYSA-N
MW230.14 g/mol
LogP3.46
Rot. Bonds1

About (3S)-3-(2,5-dichlorophenyl)piperidine

(3S)-3-(2,5-dichlorophenyl)piperidine (PubChem CID 93478490) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is (3S)-3-(2,5-dichlorophenyl)piperidine.

Molecular Properties

Compound Name(3S)-3-(2,5-dichlorophenyl)piperidine
PubChem CID93478490
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name(3S)-3-(2,5-dichlorophenyl)piperidine
SMILESClc1ccc(Cl)c([C@@H]2CCCNC2)c1
InChIInChI=1S/C11H13Cl2N/c12-9-3-4-11(13)10(6-9)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m1/s1
InChIKeyKXSUSUSXHKVIHR-MRVPVSSYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-3-(2,5-dichlorophenyl)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

4-chloro-3-piperidin-3-ylphenol
CID 84678781
(3S)-3-(5-bromo-2-chlorophenyl)piperidine
CID 130619016
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
3-[4-chloro-2-(fluoromethyl)phenyl]piperidine
CID 121450848
3-chloro-6-piperidin-3-ylbenzene-1,2-diol
CID 117327832
2,5-dichloro-4-piperidin-3-ylpyridine
CID 84694263
(3R)-3-(4-bromo-2-chlorophenyl)piperidine
CID 130852856
3-chloro-4-piperidin-3-ylphenol
CID 82612870
3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 82607556
(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 96760582
3-(2,3-dichlorophenyl)piperidine
CID 24904244
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387263

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,5-dichlorophenyl)piperidine?
The IUPAC name of (3S)-3-(2,5-dichlorophenyl)piperidine (CID 93478490) is (3S)-3-(2,5-dichlorophenyl)piperidine.
What is the SMILES notation for (3S)-3-(2,5-dichlorophenyl)piperidine?
The canonical SMILES for (3S)-3-(2,5-dichlorophenyl)piperidine is Clc1ccc(Cl)c([C@@H]2CCCNC2)c1.
What is the InChIKey of (3S)-3-(2,5-dichlorophenyl)piperidine?
The InChIKey is KXSUSUSXHKVIHR-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c12-9-3-4-11(13)10(6-9)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m1/s1.
What are the key properties of (3S)-3-(2,5-dichlorophenyl)piperidine?
(3S)-3-(2,5-dichlorophenyl)piperidine has a molecular weight of 230.14 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,5-dichlorophenyl)piperidine is sourced from PubChem (CID 93478490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).