1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine

C14H20BrClN2 — CID 81271882

IUPAC1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)NC1CCCN(c2ccc(Cl)cc2Br)C1
InChIInChI=1S/C14H20BrClN2/c1-10(2)17-12-4-3-7-18(9-12)14-6-5-11(16)8-13(14)15/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3
InChIKeyPVOVKQOMEJYJQG-UHFFFAOYSA-N
MW331.69 g/mol
LogP4.07
Rot. Bonds3

About 1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine

1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine (PubChem CID 81271882) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine
PubChem CID81271882
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC Name1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)NC1CCCN(c2ccc(Cl)cc2Br)C1
InChIInChI=1S/C14H20BrClN2/c1-10(2)17-12-4-3-7-18(9-12)14-6-5-11(16)8-13(14)15/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3
InChIKeyPVOVKQOMEJYJQG-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.69
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-methylphenyl)-N-propan-2-ylpiperidin-3-amine
CID 107639780
1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine
CID 81280758
[(3S)-1-(2-bromo-4-chlorophenyl)piperidin-3-yl]-methylcarbamic acid
CID 174212658
1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine
CID 107370782
1-(2,6-difluoro-3-methylphenyl)-N-propan-2-ylpiperidin-3-amine
CID 82819911
1-(4-chloro-2-iodophenyl)-N-cyclopropylpiperidin-3-amine
CID 107639795
2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol
CID 117004977
2-[[1-(4-chloro-2-methylphenyl)piperidin-3-yl]amino]acetonitrile
CID 117004800
1-(2-bromo-4-chlorophenyl)-1,4-diazepane
CID 81272279
2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 81263405
1-(2-bromo-4-chlorophenyl)-3-ethylpiperazine
CID 81271640
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylazepane
CID 114837143

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine (CID 81271882) is 1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine is CC(C)NC1CCCN(c2ccc(Cl)cc2Br)C1.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine?
The InChIKey is PVOVKQOMEJYJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c1-10(2)17-12-4-3-7-18(9-12)14-6-5-11(16)8-13(14)15/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine?
1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine has a molecular weight of 331.69 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-N-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 81271882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).