[4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone

C16H20BrClN2O — CID 83232075

IUPAC[4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(NCc2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C16H20BrClN2O/c17-14-9-11(1-4-15(14)18)10-19-13-5-7-20(8-6-13)16(21)12-2-3-12/h1,4,9,12-13,19H,2-3,5-8,10H2
InChIKeyBMRQFCVWQSOHBT-UHFFFAOYSA-N
MW371.71 g/mol
LogP3.59
Rot. Bonds4

About [4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone

[4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 83232075) has the molecular formula C16H20BrClN2O and a molecular weight of 371.71 g/mol. Its IUPAC name is [4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
PubChem CID83232075
Molecular FormulaC16H20BrClN2O
Molecular Weight371.71 g/mol
Exact Mass370.04
IUPAC Name[4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(NCc2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C16H20BrClN2O/c17-14-9-11(1-4-15(14)18)10-19-13-5-7-20(8-6-13)16(21)12-2-3-12/h1,4,9,12-13,19H,2-3,5-8,10H2
InChIKeyBMRQFCVWQSOHBT-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 106816549
cyclopropyl-[4-[(3,5-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 60789546
cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434750
cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434746
cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone
CID 43434758
ethyl 4-[(3-bromo-4-chlorophenyl)methylamino]cyclohexane-1-carboxylate
CID 83232807
N-[(3-bromo-4-chlorophenyl)methyl]-1,1-dioxothian-4-amine
CID 83235550
cyclopropyl-[4-[(4-phenylphenyl)methylamino]piperidin-1-yl]methanone;hydrochloride
CID 56808716
2-(3-bromo-4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 176515965
cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone
CID 43747864
[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 43434784
N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 83235904

Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone (CID 83232075) is [4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCC(NCc2ccc(Cl)c(Br)c2)CC1.
What is the InChIKey of [4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is BMRQFCVWQSOHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrClN2O/c17-14-9-11(1-4-15(14)18)10-19-13-5-7-20(8-6-13)16(21)12-2-3-12/h1,4,9,12-13,19H,2-3,5-8,10H2.
What are the key properties of [4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone?
[4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 371.71 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 83232075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).