1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C14H21BrClFN2 — CID 120776732

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2ccc(Br)cc2F)CCC1N.Cl
InChIInChI=1S/C14H20BrFN2.ClH/c1-14(2)9-18(6-5-13(14)17)8-10-3-4-11(15)7-12(10)16;/h3-4,7,13H,5-6,8-9,17H2,1-2H3;1H
InChIKeyKKFPILIBPMIEDI-UHFFFAOYSA-N
MW351.69 g/mol
LogP3.57
Rot. Bonds2

About 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120776732) has the molecular formula C14H21BrClFN2 and a molecular weight of 351.69 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120776732
Molecular FormulaC14H21BrClFN2
Molecular Weight351.69 g/mol
Exact Mass350.06
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2ccc(Br)cc2F)CCC1N.Cl
InChIInChI=1S/C14H20BrFN2.ClH/c1-14(2)9-18(6-5-13(14)17)8-10-3-4-11(15)7-12(10)16;/h3-4,7,13H,5-6,8-9,17H2,1-2H3;1H
InChIKeyKKFPILIBPMIEDI-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.69
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775152
1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775728
1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774160
1-[(4-bromo-2-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165088
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine
CID 43438739
1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910008
1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine
CID 65245079
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066
3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-4-bromophenol
CID 120781772
1-[(4-bromo-2-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907180
1-[(4-bromo-2-fluorophenyl)methyl]-3-chloro-4-methylpiperidine
CID 102959961
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781953

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120776732) is 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is CC1(C)CN(Cc2ccc(Br)cc2F)CCC1N.Cl.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is KKFPILIBPMIEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2.ClH/c1-14(2)9-18(6-5-13(14)17)8-10-3-4-11(15)7-12(10)16;/h3-4,7,13H,5-6,8-9,17H2,1-2H3;1H.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 351.69 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120776732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).