1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine

C17H27BrN2 — CID 63404037

IUPAC1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine
SMILESCCCC1CCN(C(c2cccc(Br)c2)C(C)N)CC1
InChIInChI=1S/C17H27BrN2/c1-3-5-14-8-10-20(11-9-14)17(13(2)19)15-6-4-7-16(18)12-15/h4,6-7,12-14,17H,3,5,8-11,19H2,1-2H3
InChIKeyIYQQAFFXRXWCRW-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.35
Rot. Bonds5

About 1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine

1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine (PubChem CID 63404037) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine
PubChem CID63404037
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine
SMILESCCCC1CCN(C(c2cccc(Br)c2)C(C)N)CC1
InChIInChI=1S/C17H27BrN2/c1-3-5-14-8-10-20(11-9-14)17(13(2)19)15-6-4-7-16(18)12-15/h4,6-7,12-14,17H,3,5,8-11,19H2,1-2H3
InChIKeyIYQQAFFXRXWCRW-UHFFFAOYSA-N
XLogP4.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019574
1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55019889
1-(3-bromophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171539
1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine
CID 106585979
1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine
CID 65283859
1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine
CID 63595473
1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine
CID 102956347
1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166544
4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile
CID 79664099
1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 62198523
1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide
CID 103194675
2-[2-amino-1-(3-bromophenyl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857252

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine (CID 63404037) is 1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine is CCCC1CCN(C(c2cccc(Br)c2)C(C)N)CC1.
What is the InChIKey of 1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine?
The InChIKey is IYQQAFFXRXWCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-3-5-14-8-10-20(11-9-14)17(13(2)19)15-6-4-7-16(18)12-15/h4,6-7,12-14,17H,3,5,8-11,19H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine?
1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine has a molecular weight of 339.32 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 63404037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).