1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine

C16H23BrN2O — CID 71969177

IUPAC1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine
SMILESBrc1ccc(CN2CCC(NC3CCOC3)CC2)cc1
InChIInChI=1S/C16H23BrN2O/c17-14-3-1-13(2-4-14)11-19-8-5-15(6-9-19)18-16-7-10-20-12-16/h1-4,15-16,18H,5-12H2
InChIKeyNPHYLYPLBCXMDW-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.79
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine

1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine (PubChem CID 71969177) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine
PubChem CID71969177
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine
SMILESBrc1ccc(CN2CCC(NC3CCOC3)CC2)cc1
InChIInChI=1S/C16H23BrN2O/c17-14-3-1-13(2-4-14)11-19-8-5-15(6-9-19)18-16-7-10-20-12-16/h1-4,15-16,18H,5-12H2
InChIKeyNPHYLYPLBCXMDW-UHFFFAOYSA-N
XLogP2.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine
CID 119128198
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 7346266
1-benzyl-N-(oxolan-3-yl)piperidin-3-amine
CID 64590674
4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
CID 138998311
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119899073
1-[(4-ethylphenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine
CID 136559212
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-[(3S)-oxolan-3-yl]methanesulfonamide
CID 171352805

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine (CID 71969177) is 1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine is Brc1ccc(CN2CCC(NC3CCOC3)CC2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine?
The InChIKey is NPHYLYPLBCXMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c17-14-3-1-13(2-4-14)11-19-8-5-15(6-9-19)18-16-7-10-20-12-16/h1-4,15-16,18H,5-12H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine?
1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine has a molecular weight of 339.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 71969177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).