(4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone

C17H25BrN2O — CID 60954454

IUPAC(4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCC(C)N(C)CC1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H25BrN2O/c1-13(2)19(3)12-14-8-10-20(11-9-14)17(21)15-4-6-16(18)7-5-15/h4-7,13-14H,8-12H2,1-3H3
InChIKeyDKRGYQGLWLEHBH-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.64
Rot. Bonds4

About (4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone

(4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone (PubChem CID 60954454) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is (4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
PubChem CID60954454
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name(4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCC(C)N(C)CC1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H25BrN2O/c1-13(2)19(3)12-14-8-10-20(11-9-14)17(21)15-4-6-16(18)7-5-15/h4-7,13-14H,8-12H2,1-3H3
InChIKeyDKRGYQGLWLEHBH-UHFFFAOYSA-N
XLogP3.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone 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

(5-bromothiophen-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61075607
[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 48501123
[4-(bromomethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80678679
(2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 60959683
(2-iodophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61245242
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 1-(4-bromobenzoyl)piperidine-4-carboxylate
CID 8923429
(5-amino-2-pyridinyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 81310117
(4-bromophenyl)-[3-(2-chloroethyl)pyrrolidin-1-yl]methanone
CID 114801097
(4-bromophenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63396170
1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide
CID 9180450
[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 138993124

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone (CID 60954454) is (4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone is CC(C)N(C)CC1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of (4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The InChIKey is DKRGYQGLWLEHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-13(2)19(3)12-14-8-10-20(11-9-14)17(21)15-4-6-16(18)7-5-15/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of (4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
(4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone has a molecular weight of 353.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 60954454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).