(3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

C14H19BrN2O — CID 115304375

IUPAC(3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C14H19BrN2O/c1-14(16-2)6-8-17(9-7-14)13(18)11-4-3-5-12(15)10-11/h3-5,10,16H,6-9H2,1-2H3
InChIKeySGSOXIOGTMJHGN-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.66
Rot. Bonds2

About (3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

(3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 115304375) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is (3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID115304375
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name(3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C14H19BrN2O/c1-14(16-2)6-8-17(9-7-14)13(18)11-4-3-5-12(15)10-11/h3-5,10,16H,6-9H2,1-2H3
InChIKeySGSOXIOGTMJHGN-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 107728799
(3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304505
[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 115304563
(4-fluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304379
(3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875011
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110866
1-(3-bromobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133748
(4-bromo-1-ethylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304407
(3-bromophenyl)-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 38462694
(5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304624
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (CID 115304375) is (3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is CNC1(C)CCN(C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of (3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is SGSOXIOGTMJHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-14(16-2)6-8-17(9-7-14)13(18)11-4-3-5-12(15)10-11/h3-5,10,16H,6-9H2,1-2H3.
What are the key properties of (3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
(3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 311.22 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 115304375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).