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

C12H16BrNO — CID 26191633

IUPAC(3S)-3-(4-bromo-2-methylphenoxy)piperidine
SMILESCc1cc(Br)ccc1O[C@H]1CCCNC1
InChIInChI=1S/C12H16BrNO/c1-9-7-10(13)4-5-12(9)15-11-3-2-6-14-8-11/h4-5,7,11,14H,2-3,6,8H2,1H3/t11-/m0/s1
InChIKeyWEMGTNQNEPZEEF-NSHDSACASA-N
MW270.17 g/mol
LogP2.89
Rot. Bonds2

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

(3S)-3-(4-bromo-2-methylphenoxy)piperidine (PubChem CID 26191633) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is (3S)-3-(4-bromo-2-methylphenoxy)piperidine.

Molecular Properties

Compound Name(3S)-3-(4-bromo-2-methylphenoxy)piperidine
PubChem CID26191633
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name(3S)-3-(4-bromo-2-methylphenoxy)piperidine
SMILESCc1cc(Br)ccc1O[C@H]1CCCNC1
InChIInChI=1S/C12H16BrNO/c1-9-7-10(13)4-5-12(9)15-11-3-2-6-14-8-11/h4-5,7,11,14H,2-3,6,8H2,1H3/t11-/m0/s1
InChIKeyWEMGTNQNEPZEEF-NSHDSACASA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(4-bromo-2-methylphenoxy)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-(4-bromo-2-methylphenoxy)azetidine
CID 24902314
3-(2,4-dibromophenoxy)piperidine;hydrochloride
CID 53409178
(3S)-3-(4-bromo-2-chlorophenoxy)piperidine
CID 86317840
(3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine
CID 107284590
4-(5-bromo-2-methylphenoxy)azepane
CID 107286395
(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
CID 26190956
3-(2,4-dibromophenoxy)pyrrolidine
CID 53409181
(3S)-3-(2-bromo-4-tert-butylphenoxy)piperidine
CID 86322142
3-(2-bromo-4-fluorophenoxy)piperidine
CID 24902400
(3R)-3-(2-bromo-4-chloro-3,5-dimethylphenoxy)piperidine
CID 86321988
(3S)-3-(4-bromo-2-ethylphenoxy)pyrrolidine
CID 86321972
(3R)-3-(3,4-dimethylphenoxy)piperidine
CID 26191417

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-bromo-2-methylphenoxy)piperidine?
The IUPAC name of (3S)-3-(4-bromo-2-methylphenoxy)piperidine (CID 26191633) is (3S)-3-(4-bromo-2-methylphenoxy)piperidine.
What is the SMILES notation for (3S)-3-(4-bromo-2-methylphenoxy)piperidine?
The canonical SMILES for (3S)-3-(4-bromo-2-methylphenoxy)piperidine is Cc1cc(Br)ccc1O[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-(4-bromo-2-methylphenoxy)piperidine?
The InChIKey is WEMGTNQNEPZEEF-NSHDSACASA-N. The full InChI is InChI=1S/C12H16BrNO/c1-9-7-10(13)4-5-12(9)15-11-3-2-6-14-8-11/h4-5,7,11,14H,2-3,6,8H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-3-(4-bromo-2-methylphenoxy)piperidine?
(3S)-3-(4-bromo-2-methylphenoxy)piperidine has a molecular weight of 270.17 g/mol, XLogP of 2.89, 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-methylphenoxy)piperidine is sourced from PubChem (CID 26191633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).