(3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

C14H20BrClN2O — CID 119563275

IUPAC(3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(C)c(Br)c2)CC1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-10-3-4-11(9-13(10)15)14(18)17-7-5-12(16-2)6-8-17;/h3-4,9,12,16H,5-8H2,1-2H3;1H
InChIKeyVIBAFFMBSXXBGJ-UHFFFAOYSA-N
MW347.68 g/mol
LogP3.00
Rot. Bonds2

About (3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

(3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119563275) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119563275
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name(3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(C)c(Br)c2)CC1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-10-3-4-11(9-13(10)15)14(18)17-7-5-12(16-2)6-8-17;/h3-4,9,12,16H,5-8H2,1-2H3;1H
InChIKeyVIBAFFMBSXXBGJ-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methylphenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 81476430
(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone
CID 675721
N-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]acetamide
CID 115770342
2-[1-(3-bromo-4-methylbenzoyl)piperidin-4-yl]acetic acid
CID 81360577
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
1-(3-bromo-4-methylbenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 81476577
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 119562505
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
(3-bromo-4-methylphenyl)-piperazin-1-ylmethanone
CID 81469486
1-[4-(3-bromo-4-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 79466924
(3-bromo-4-methylphenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 79458140
6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone
CID 167530654

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119563275) is (3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)c2ccc(C)c(Br)c2)CC1.Cl.
What is the InChIKey of (3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is VIBAFFMBSXXBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O.ClH/c1-10-3-4-11(9-13(10)15)14(18)17-7-5-12(16-2)6-8-17;/h3-4,9,12,16H,5-8H2,1-2H3;1H.
What are the key properties of (3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 347.68 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119563275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).