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

C12H15BrClNO — CID 115053488

IUPAC2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride
SMILESCC1(c2cccc(Br)c2)NCCCC1=O.Cl
InChIInChI=1S/C12H14BrNO.ClH/c1-12(11(15)6-3-7-14-12)9-4-2-5-10(13)8-9;/h2,4-5,8,14H,3,6-7H2,1H3;1H
InChIKeyPTSZVWZSPYGNQX-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.04
Rot. Bonds1

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

2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride (PubChem CID 115053488) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride
PubChem CID115053488
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC Name2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride
SMILESCC1(c2cccc(Br)c2)NCCCC1=O.Cl
InChIInChI=1S/C12H14BrNO.ClH/c1-12(11(15)6-3-7-14-12)9-4-2-5-10(13)8-9;/h2,4-5,8,14H,3,6-7H2,1H3;1H
InChIKeyPTSZVWZSPYGNQX-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxyphenyl)-2-methylpyrrolidin-3-one;hydrochloride
CID 115036395
2-(4-chlorophenyl)-2-methylpiperidin-3-one;hydrochloride
CID 115054395
2-(3-bromophenyl)-2-methylpiperidin-3-ol;hydrochloride
CID 115054403
2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride
CID 115053306
2-(3-bromophenyl)-4-fluoro-2-methylpiperidine
CID 115050602
2-(3-bromophenyl)-2-propan-2-ylazepane
CID 115059411
(3R)-3-(3-bromophenyl)-3-methylmorpholine
CID 96926768
2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine
CID 117271922
2-(3-bromophenyl)-2-propylpiperidine
CID 115058689
2-(3-bromophenyl)-2-methylpyrrolidin-3-ol
CID 115047690
6-(3-bromophenyl)-3,6-dimethyl-1,3,5-triazinane-2,4-dione
CID 58794707
1-(3-bromophenyl)-3,3-dimethyl-1,4-diazocan-2-one
CID 117016441

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride?
The IUPAC name of 2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride (CID 115053488) is 2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride.
What is the SMILES notation for 2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride?
The canonical SMILES for 2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride is CC1(c2cccc(Br)c2)NCCCC1=O.Cl.
What is the InChIKey of 2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride?
The InChIKey is PTSZVWZSPYGNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO.ClH/c1-12(11(15)6-3-7-14-12)9-4-2-5-10(13)8-9;/h2,4-5,8,14H,3,6-7H2,1H3;1H.
What are the key properties of 2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride?
2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride has a molecular weight of 304.62 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-methylpiperidin-3-one;hydrochloride is sourced from PubChem (CID 115053488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).