2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride

C12H17BrClNO — CID 115054403

IUPAC2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride
SMILESCC1(c2cccc(Br)c2)NCCCC1O.Cl
InChIInChI=1S/C12H16BrNO.ClH/c1-12(11(15)6-3-7-14-12)9-4-2-5-10(13)8-9;/h2,4-5,8,11,14-15H,3,6-7H2,1H3;1H
InChIKeyDNZAXISXZGKMLI-UHFFFAOYSA-N
MW306.63 g/mol
LogP2.83
Rot. Bonds1

About 2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride

2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride (PubChem CID 115054403) has the molecular formula C12H17BrClNO and a molecular weight of 306.63 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride
PubChem CID115054403
Molecular FormulaC12H17BrClNO
Molecular Weight306.63 g/mol
Exact Mass305.02
IUPAC Name2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride
SMILESCC1(c2cccc(Br)c2)NCCCC1O.Cl
InChIInChI=1S/C12H16BrNO.ClH/c1-12(11(15)6-3-7-14-12)9-4-2-5-10(13)8-9;/h2,4-5,8,11,14-15H,3,6-7H2,1H3;1H
InChIKeyDNZAXISXZGKMLI-UHFFFAOYSA-N
XLogP2.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride 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

2-(3-bromophenyl)-2-methylpyrrolidin-3-ol
CID 115047690
2-(4-bromophenyl)-2-methylpiperidin-3-ol
CID 115050363
2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride
CID 115053306
2-(4-fluorophenyl)-2-methylpiperidin-3-ol
CID 115026400
2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride
CID 115053488
2-(3-bromophenyl)-4-fluoro-2-methylpiperidine
CID 115050602
2-(3-bromophenyl)-2-propan-2-ylazepane
CID 115059411
2-[1-(3-bromophenyl)cyclopropyl]pyrrolidine
CID 83913426
4-(3-fluoro-2-methylpiperidin-2-yl)phenol;hydrochloride
CID 115045704
(3R)-3-(3-bromophenyl)-3-methylmorpholine
CID 96926768
3-fluoro-2-methyl-2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 115037533
2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine
CID 117271922

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride?
The IUPAC name of 2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride (CID 115054403) is 2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride.
What is the SMILES notation for 2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride?
The canonical SMILES for 2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride is CC1(c2cccc(Br)c2)NCCCC1O.Cl.
What is the InChIKey of 2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride?
The InChIKey is DNZAXISXZGKMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO.ClH/c1-12(11(15)6-3-7-14-12)9-4-2-5-10(13)8-9;/h2,4-5,8,11,14-15H,3,6-7H2,1H3;1H.
What are the key properties of 2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride?
2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride has a molecular weight of 306.63 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride is sourced from PubChem (CID 115054403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).