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

C17H26BrClN2 — CID 103502648

IUPAC1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
SMILESCC(C)C1CCN(CCC(N)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C17H26BrClN2/c1-12(2)13-5-8-21(9-6-13)10-7-17(20)15-4-3-14(18)11-16(15)19/h3-4,11-13,17H,5-10,20H2,1-2H3
InChIKeyOWPLMEHKHZBIGN-UHFFFAOYSA-N
MW373.77 g/mol
LogP4.86
Rot. Bonds5

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

1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine (PubChem CID 103502648) has the molecular formula C17H26BrClN2 and a molecular weight of 373.77 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
PubChem CID103502648
Molecular FormulaC17H26BrClN2
Molecular Weight373.77 g/mol
Exact Mass372.10
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
SMILESCC(C)C1CCN(CCC(N)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C17H26BrClN2/c1-12(2)13-5-8-21(9-6-13)10-7-17(20)15-4-3-14(18)11-16(15)19/h3-4,11-13,17H,5-10,20H2,1-2H3
InChIKeyOWPLMEHKHZBIGN-UHFFFAOYSA-N
XLogP4.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
CID 82780236
1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol
CID 102967113
1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol
CID 82779683
1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502679
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
2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494603
(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride
CID 171204059
(1S)-1-(4-bromo-2-chlorophenyl)hexan-1-amine
CID 171223632
1-(4-bromo-2-chlorophenyl)-3-(3-ethylmorpholin-4-yl)propan-1-amine
CID 82779969
1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine
CID 82773660
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-propan-2-ylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine (CID 103502648) is 1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine is CC(C)C1CCN(CCC(N)c2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
The InChIKey is OWPLMEHKHZBIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrClN2/c1-12(2)13-5-8-21(9-6-13)10-7-17(20)15-4-3-14(18)11-16(15)19/h3-4,11-13,17H,5-10,20H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine has a molecular weight of 373.77 g/mol, XLogP of 4.86, 5 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-propan-2-ylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 103502648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).