N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine

C15H23BrN2 — CID 43434906

IUPACN-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NCc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2/c1-13(12-18-9-3-2-4-10-18)17-11-14-5-7-15(16)8-6-14/h5-8,13,17H,2-4,9-12H2,1H3
InChIKeyGRUBCDISTIVQFP-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.41
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine

N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 43434906) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID43434906
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NCc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2/c1-13(12-18-9-3-2-4-10-18)17-11-14-5-7-15(16)8-6-14/h5-8,13,17H,2-4,9-12H2,1H3
InChIKeyGRUBCDISTIVQFP-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107972034
1-piperidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-2-amine
CID 103437679
N-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 104851455
N-[(3-bromo-4-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 112548580
N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61223769
N-[(4-bromo-3-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 81002797
N-[[4-(difluoromethoxy)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434892
N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 63646067
(2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 51683369
2-[4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenoxy]acetonitrile
CID 61223958
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61223960
N-[(4-fluoro-3-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 62121470

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine (CID 43434906) is N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine is CC(CN1CCCCC1)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is GRUBCDISTIVQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-13(12-18-9-3-2-4-10-18)17-11-14-5-7-15(16)8-6-14/h5-8,13,17H,2-4,9-12H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 311.27 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 43434906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).