1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol

C15H22BrClN2O — CID 102967113

IUPAC1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(CCC(N)c2ccc(Br)cc2Cl)CC1O
InChIInChI=1S/C15H22BrClN2O/c1-10-4-6-19(9-15(10)20)7-5-14(18)12-3-2-11(16)8-13(12)17/h2-3,8,10,14-15,20H,4-7,9,18H2,1H3
InChIKeyBKUDWHZBPQOTAE-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.20
Rot. Bonds4

About 1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol

1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol (PubChem CID 102967113) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol
PubChem CID102967113
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(CCC(N)c2ccc(Br)cc2Cl)CC1O
InChIInChI=1S/C15H22BrClN2O/c1-10-4-6-19(9-15(10)20)7-5-14(18)12-3-2-11(16)8-13(12)17/h2-3,8,10,14-15,20H,4-7,9,18H2,1H3
InChIKeyBKUDWHZBPQOTAE-UHFFFAOYSA-N
XLogP3.20
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol
CID 82779683
1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502648
1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
CID 82780236
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
1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine
CID 82779969
(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)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine
CID 82779425
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-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol (CID 102967113) is 1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol is CC1CCN(CCC(N)c2ccc(Br)cc2Cl)CC1O.
What is the InChIKey of 1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol?
The InChIKey is BKUDWHZBPQOTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2O/c1-10-4-6-19(9-15(10)20)7-5-14(18)12-3-2-11(16)8-13(12)17/h2-3,8,10,14-15,20H,4-7,9,18H2,1H3.
What are the key properties of 1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol?
1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol has a molecular weight of 361.71 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102967113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).