1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine

C15H23BrN2 — CID 106633301

IUPAC1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCC(NCC1CCCCN1)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2/c1-2-15(12-6-8-13(16)9-7-12)18-11-14-5-3-4-10-17-14/h6-9,14-15,17-18H,2-5,10-11H2,1H3
InChIKeyBAZURCGYHGFESN-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.63
Rot. Bonds5

About 1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine

1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine (PubChem CID 106633301) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine
PubChem CID106633301
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCC(NCC1CCCCN1)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2/c1-2-15(12-6-8-13(16)9-7-12)18-11-14-5-3-4-10-17-14/h6-9,14-15,17-18H,2-5,10-11H2,1H3
InChIKeyBAZURCGYHGFESN-UHFFFAOYSA-N
XLogP3.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 106633350
3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785944
(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634173
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106637287
N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
CID 30081048
N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide
CID 81359749
(2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol
CID 107862197
(1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634175
4-methyl-N-(piperidin-2-ylmethyl)hexan-2-amine
CID 106634056
N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 116951649
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine (CID 106633301) is 1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine is CCC(NCC1CCCCN1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
The InChIKey is BAZURCGYHGFESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-2-15(12-6-8-13(16)9-7-12)18-11-14-5-3-4-10-17-14/h6-9,14-15,17-18H,2-5,10-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine?
1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine has a molecular weight of 311.27 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106633301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).