1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine

C16H22Br2N2O — CID 43612748

IUPAC1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1c(Br)cc(CNC2CCN(C3CC3)CC2)cc1Br
InChIInChI=1S/C16H22Br2N2O/c1-21-16-14(17)8-11(9-15(16)18)10-19-12-4-6-20(7-5-12)13-2-3-13/h8-9,12-13,19H,2-7,10H2,1H3
InChIKeyFLIVDHKJMNZORB-UHFFFAOYSA-N
MW418.17 g/mol
LogP3.94
Rot. Bonds5

About 1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine

1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine (PubChem CID 43612748) has the molecular formula C16H22Br2N2O and a molecular weight of 418.17 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine
PubChem CID43612748
Molecular FormulaC16H22Br2N2O
Molecular Weight418.17 g/mol
Exact Mass416.01
IUPAC Name1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1c(Br)cc(CNC2CCN(C3CC3)CC2)cc1Br
InChIInChI=1S/C16H22Br2N2O/c1-21-16-14(17)8-11(9-15(16)18)10-19-12-4-6-20(7-5-12)13-2-3-13/h8-9,12-13,19H,2-7,10H2,1H3
InChIKeyFLIVDHKJMNZORB-UHFFFAOYSA-N
XLogP3.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.17
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dibromo-4-methoxyphenyl)methyl]cycloheptanamine
CID 29223558
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454771
N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 103581523
1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine
CID 43234267
N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine
CID 90423096
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 102610287
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 60958120
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
CID 79891880
5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile
CID 65340659
N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 107743553
1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
N-[(3,5-dibromo-4-pentan-3-yloxyphenyl)methyl]cyclopropanamine
CID 107743424

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine (CID 43612748) is 1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine is COc1c(Br)cc(CNC2CCN(C3CC3)CC2)cc1Br.
What is the InChIKey of 1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is FLIVDHKJMNZORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Br2N2O/c1-21-16-14(17)8-11(9-15(16)18)10-19-12-4-6-20(7-5-12)13-2-3-13/h8-9,12-13,19H,2-7,10H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine?
1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 418.17 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 43612748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).