(3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine

C15H22ClNO — CID 86320246

IUPAC(3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine
SMILESCc1cc(C)c(OCC[C@@H]2CCCNC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-11-8-12(2)15(14(16)9-11)18-7-5-13-4-3-6-17-10-13/h8-9,13,17H,3-7,10H2,1-2H3/t13-/m0/s1
InChIKeyDXCQMOKWFCUHKT-ZDUSSCGKSA-N
MW267.80 g/mol
LogP3.73
Rot. Bonds4

About (3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine

(3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine (PubChem CID 86320246) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is (3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine
PubChem CID86320246
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name(3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine
SMILESCc1cc(C)c(OCC[C@@H]2CCCNC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-11-8-12(2)15(14(16)9-11)18-7-5-13-4-3-6-17-10-13/h8-9,13,17H,3-7,10H2,1-2H3/t13-/m0/s1
InChIKeyDXCQMOKWFCUHKT-ZDUSSCGKSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[2-(2-chloro-4-methylphenoxy)ethyl]piperidine
CID 86320313
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
5-bromo-3-chloro-2-(2-piperidin-3-ylethoxy)pyridine
CID 103583976
3-[2-(2-chloro-6-fluorophenoxy)ethyl]piperidine
CID 83050877
3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine
CID 15541141
(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
CID 86320969
3-[2-(4-chloro-3-ethylphenoxy)ethyl]piperidine;hydrochloride
CID 56829845
3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
CID 62356017
3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]piperidine
CID 62356360
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 56830076
3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine
CID 117449128

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine?
The IUPAC name of (3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine (CID 86320246) is (3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine.
What is the SMILES notation for (3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine?
The canonical SMILES for (3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine is Cc1cc(C)c(OCC[C@@H]2CCCNC2)c(Cl)c1.
What is the InChIKey of (3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine?
The InChIKey is DXCQMOKWFCUHKT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11-8-12(2)15(14(16)9-11)18-7-5-13-4-3-6-17-10-13/h8-9,13,17H,3-7,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine?
(3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine has a molecular weight of 267.80 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine is sourced from PubChem (CID 86320246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).