3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine

C16H25BrN2 — CID 83983268

IUPAC3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
SMILESCC(CN)CC1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H25BrN2/c1-13(11-18)10-14-6-8-19(9-7-14)12-15-2-4-16(17)5-3-15/h2-5,13-14H,6-12,18H2,1H3
InChIKeyOPCLURVIYNWXGF-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.65
Rot. Bonds5

About 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine

3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine (PubChem CID 83983268) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
PubChem CID83983268
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
SMILESCC(CN)CC1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H25BrN2/c1-13(11-18)10-14-6-8-19(9-7-14)12-15-2-4-16(17)5-3-15/h2-5,13-14H,6-12,18H2,1H3
InChIKeyOPCLURVIYNWXGF-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983238
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983298
3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983377
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol
CID 103657050
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-ol
CID 83983299
4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105346383
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 75994008

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine (CID 83983268) is 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine is CC(CN)CC1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine?
The InChIKey is OPCLURVIYNWXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-13(11-18)10-14-6-8-19(9-7-14)12-15-2-4-16(17)5-3-15/h2-5,13-14H,6-12,18H2,1H3.
What are the key properties of 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine?
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine has a molecular weight of 325.29 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 83983268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).