N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine

C15H22Br2N2 — CID 107972034

IUPACN-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NCc1cc(Br)cc(Br)c1
InChIInChI=1S/C15H22Br2N2/c1-12(11-19-5-3-2-4-6-19)18-10-13-7-14(16)9-15(17)8-13/h7-9,12,18H,2-6,10-11H2,1H3
InChIKeySBTCOJIRQAXSIQ-UHFFFAOYSA-N
MW390.16 g/mol
LogP4.18
Rot. Bonds5

About N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine

N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 107972034) has the molecular formula C15H22Br2N2 and a molecular weight of 390.16 g/mol. Its IUPAC name is N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID107972034
Molecular FormulaC15H22Br2N2
Molecular Weight390.16 g/mol
Exact Mass388.01
IUPAC NameN-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NCc1cc(Br)cc(Br)c1
InChIInChI=1S/C15H22Br2N2/c1-12(11-19-5-3-2-4-6-19)18-10-13-7-14(16)9-15(17)8-13/h7-9,12,18H,2-6,10-11H2,1H3
InChIKeySBTCOJIRQAXSIQ-UHFFFAOYSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.16
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 104851455
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434906
N-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 104851456
N-[(3-bromo-4-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 112548580
N-[(4-bromo-3-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 81002797
(2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 51683369
1-piperidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-2-amine
CID 103437679
N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 63646067
N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 115526298
N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938184
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43749089
N-[(4-fluoro-3-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 62121470

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine (CID 107972034) is N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine is CC(CN1CCCCC1)NCc1cc(Br)cc(Br)c1.
What is the InChIKey of N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is SBTCOJIRQAXSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Br2N2/c1-12(11-19-5-3-2-4-6-19)18-10-13-7-14(16)9-15(17)8-13/h7-9,12,18H,2-6,10-11H2,1H3.
What are the key properties of N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 390.16 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 107972034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).