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

C11H13Cl2NO — CID 26191322

IUPAC(3S)-3-(2,5-dichlorophenoxy)piperidine
SMILESClc1ccc(Cl)c(O[C@H]2CCCNC2)c1
InChIInChI=1S/C11H13Cl2NO/c12-8-3-4-10(13)11(6-8)15-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2/t9-/m0/s1
InChIKeyQMTVYKYQMXJBEC-VIFPVBQESA-N
MW246.14 g/mol
LogP3.12
Rot. Bonds2

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

(3S)-3-(2,5-dichlorophenoxy)piperidine (PubChem CID 26191322) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is (3S)-3-(2,5-dichlorophenoxy)piperidine.

Molecular Properties

Compound Name(3S)-3-(2,5-dichlorophenoxy)piperidine
PubChem CID26191322
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name(3S)-3-(2,5-dichlorophenoxy)piperidine
SMILESClc1ccc(Cl)c(O[C@H]2CCCNC2)c1
InChIInChI=1S/C11H13Cl2NO/c12-8-3-4-10(13)11(6-8)15-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2/t9-/m0/s1
InChIKeyQMTVYKYQMXJBEC-VIFPVBQESA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
CID 86322323
5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide
CID 66246605
(3S)-3-(4-bromo-2-chlorophenoxy)piperidine
CID 86317840
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
CID 26190671
(3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
CID 86322422
3-(2-chloro-5-methoxyphenoxy)pyrrolidine
CID 84691503
(3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine
CID 66245197
3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride
CID 56830793
3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride
CID 56830828
3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine
CID 83807041
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine
CID 86322333
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,5-dichlorophenoxy)piperidine?
The IUPAC name of (3S)-3-(2,5-dichlorophenoxy)piperidine (CID 26191322) is (3S)-3-(2,5-dichlorophenoxy)piperidine.
What is the SMILES notation for (3S)-3-(2,5-dichlorophenoxy)piperidine?
The canonical SMILES for (3S)-3-(2,5-dichlorophenoxy)piperidine is Clc1ccc(Cl)c(O[C@H]2CCCNC2)c1.
What is the InChIKey of (3S)-3-(2,5-dichlorophenoxy)piperidine?
The InChIKey is QMTVYKYQMXJBEC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-8-3-4-10(13)11(6-8)15-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2/t9-/m0/s1.
What are the key properties of (3S)-3-(2,5-dichlorophenoxy)piperidine?
(3S)-3-(2,5-dichlorophenoxy)piperidine has a molecular weight of 246.14 g/mol, XLogP of 3.12, 2 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)piperidine is sourced from PubChem (CID 26191322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).