1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine

C16H24BrClN2 — CID 82780236

IUPAC1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
SMILESCC1(C)CCN(CCC(N)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C16H24BrClN2/c1-16(2)6-9-20(10-7-16)8-5-15(19)13-4-3-12(17)11-14(13)18/h3-4,11,15H,5-10,19H2,1-2H3
InChIKeyZJWOBNSMNQZIBQ-UHFFFAOYSA-N
MW359.74 g/mol
LogP4.61
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine

1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine (PubChem CID 82780236) has the molecular formula C16H24BrClN2 and a molecular weight of 359.74 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
PubChem CID82780236
Molecular FormulaC16H24BrClN2
Molecular Weight359.74 g/mol
Exact Mass358.08
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
SMILESCC1(C)CCN(CCC(N)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C16H24BrClN2/c1-16(2)6-9-20(10-7-16)8-5-15(19)13-4-3-12(17)11-14(13)18/h3-4,11,15H,5-10,19H2,1-2H3
InChIKeyZJWOBNSMNQZIBQ-UHFFFAOYSA-N
XLogP4.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502648
1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol
CID 102967113
1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62932000
1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol
CID 82779683
1-(4-bromo-2-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 82780041
1-(4-bromo-2-chlorophenyl)-3-(2-methylazepan-1-yl)propan-1-amine
CID 82781669
1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine
CID 82775888
(1S)-1-(4-bromo-2-chlorophenyl)hexan-1-amine
CID 171223632
(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride
CID 171204059
1-(4-bromo-2-chlorophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 82780475
1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine
CID 82779969
1-(4-bromo-2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-ol
CID 82775693

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine (CID 82780236) is 1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine is CC1(C)CCN(CCC(N)c2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine?
The InChIKey is ZJWOBNSMNQZIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2/c1-16(2)6-9-20(10-7-16)8-5-15(19)13-4-3-12(17)11-14(13)18/h3-4,11,15H,5-10,19H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine?
1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine has a molecular weight of 359.74 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 82780236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).