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

C14H20BrClN2O — CID 82779683

IUPAC1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol
SMILESNC(CCN1CCCC(O)C1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H20BrClN2O/c15-10-3-4-12(13(16)8-10)14(17)5-7-18-6-1-2-11(19)9-18/h3-4,8,11,14,19H,1-2,5-7,9,17H2
InChIKeyYIRPTFKQSDPXJU-UHFFFAOYSA-N
MW347.68 g/mol
LogP2.95
Rot. Bonds4

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

1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol (PubChem CID 82779683) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is 1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol
PubChem CID82779683
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol
SMILESNC(CCN1CCCC(O)C1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H20BrClN2O/c15-10-3-4-12(13(16)8-10)14(17)5-7-18-6-1-2-11(19)9-18/h3-4,8,11,14,19H,1-2,5-7,9,17H2
InChIKeyYIRPTFKQSDPXJU-UHFFFAOYSA-N
XLogP2.95
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol
CID 102967113
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-(4-ethylazepan-1-yl)propan-1-ol
CID 82776674
1-(4-bromo-2-chlorophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine
CID 82775888
1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol
CID 62623074
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 62618608
(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103663267
1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine
CID 82779969
2-amino-2-(4-bromo-2-chlorophenyl)ethanol;hydrochloride
CID 155888152

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol?
The IUPAC name of 1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol (CID 82779683) is 1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol?
The canonical SMILES for 1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol is NC(CCN1CCCC(O)C1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol?
The InChIKey is YIRPTFKQSDPXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O/c15-10-3-4-12(13(16)8-10)14(17)5-7-18-6-1-2-11(19)9-18/h3-4,8,11,14,19H,1-2,5-7,9,17H2.
What are the key properties of 1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol?
1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol has a molecular weight of 347.68 g/mol, XLogP of 2.95, 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]piperidin-3-ol is sourced from PubChem (CID 82779683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).