[1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone

C18H25BrN2O — CID 2931967

IUPAC[1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN(Cc2cccc(Br)c2)C1)N1CCCCC1
InChIInChI=1S/C18H25BrN2O/c19-17-8-4-6-15(12-17)13-20-9-5-7-16(14-20)18(22)21-10-2-1-3-11-21/h4,6,8,12,16H,1-3,5,7,9-11,13-14H2
InChIKeyDALTVDLZVWJFER-UHFFFAOYSA-N
MW365.32 g/mol
LogP3.67
Rot. Bonds3

About [1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone

[1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 2931967) has the molecular formula C18H25BrN2O and a molecular weight of 365.32 g/mol. Its IUPAC name is [1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID2931967
Molecular FormulaC18H25BrN2O
Molecular Weight365.32 g/mol
Exact Mass364.12
IUPAC Name[1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN(Cc2cccc(Br)c2)C1)N1CCCCC1
InChIInChI=1S/C18H25BrN2O/c19-17-8-4-6-15(12-17)13-20-9-5-7-16(14-20)18(22)21-10-2-1-3-11-21/h4,6,8,12,16H,1-3,5,7,9-11,13-14H2
InChIKeyDALTVDLZVWJFER-UHFFFAOYSA-N
XLogP3.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 43925877
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
azepan-1-yl-[1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 90484118
1-[(3-bromophenyl)methyl]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917480
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919379
[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 3409928
[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 756481
azepan-1-yl-[(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 1293873
[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918722

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone (CID 2931967) is [1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone is O=C(C1CCCN(Cc2cccc(Br)c2)C1)N1CCCCC1.
What is the InChIKey of [1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is DALTVDLZVWJFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O/c19-17-8-4-6-15(12-17)13-20-9-5-7-16(14-20)18(22)21-10-2-1-3-11-21/h4,6,8,12,16H,1-3,5,7,9-11,13-14H2.
What are the key properties of [1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
[1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 365.32 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 2931967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).