(3S)-3-(4-bromo-2-chlorophenoxy)piperidine

C11H13BrClNO — CID 86317840

IUPAC(3S)-3-(4-bromo-2-chlorophenoxy)piperidine
SMILESClc1cc(Br)ccc1O[C@H]1CCCNC1
InChIInChI=1S/C11H13BrClNO/c12-8-3-4-11(10(13)6-8)15-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2/t9-/m0/s1
InChIKeyFMIHVOMYDRWYSF-VIFPVBQESA-N
MW290.59 g/mol
LogP3.23
Rot. Bonds2

About (3S)-3-(4-bromo-2-chlorophenoxy)piperidine

(3S)-3-(4-bromo-2-chlorophenoxy)piperidine (PubChem CID 86317840) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is (3S)-3-(4-bromo-2-chlorophenoxy)piperidine.

Molecular Properties

Compound Name(3S)-3-(4-bromo-2-chlorophenoxy)piperidine
PubChem CID86317840
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name(3S)-3-(4-bromo-2-chlorophenoxy)piperidine
SMILESClc1cc(Br)ccc1O[C@H]1CCCNC1
InChIInChI=1S/C11H13BrClNO/c12-8-3-4-11(10(13)6-8)15-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2/t9-/m0/s1
InChIKeyFMIHVOMYDRWYSF-VIFPVBQESA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(4-bromo-2-chlorophenoxy)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-(2,4-dibromophenoxy)piperidine;hydrochloride
CID 53409178
(3S)-3-(4-bromo-2-methylphenoxy)piperidine
CID 26191633
3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride
CID 56830828
3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride
CID 56830793
(3S)-3-(2,5-dichlorophenoxy)piperidine
CID 26191322
3-(2,4-dibromophenoxy)pyrrolidine
CID 53409181
3-(2-bromo-4-fluorophenoxy)piperidine
CID 24902400
3-(4-bromo-2-chlorophenoxy)cyclohexan-1-one
CID 79618488
(3S)-3-(2-bromo-4-tert-butylphenoxy)piperidine
CID 86322142
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
CID 86322323
3-(4-bromo-2-chlorophenoxy)oxetane
CID 118058057
3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide
CID 82800343

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-bromo-2-chlorophenoxy)piperidine?
The IUPAC name of (3S)-3-(4-bromo-2-chlorophenoxy)piperidine (CID 86317840) is (3S)-3-(4-bromo-2-chlorophenoxy)piperidine.
What is the SMILES notation for (3S)-3-(4-bromo-2-chlorophenoxy)piperidine?
The canonical SMILES for (3S)-3-(4-bromo-2-chlorophenoxy)piperidine is Clc1cc(Br)ccc1O[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-(4-bromo-2-chlorophenoxy)piperidine?
The InChIKey is FMIHVOMYDRWYSF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13BrClNO/c12-8-3-4-11(10(13)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-(4-bromo-2-chlorophenoxy)piperidine?
(3S)-3-(4-bromo-2-chlorophenoxy)piperidine has a molecular weight of 290.59 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-bromo-2-chlorophenoxy)piperidine is sourced from PubChem (CID 86317840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).