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

C17H27BrN2 — CID 103502679

IUPAC1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
SMILESCC(C)C1CCN(CCC(N)c2cccc(Br)c2)CC1
InChIInChI=1S/C17H27BrN2/c1-13(2)14-6-9-20(10-7-14)11-8-17(19)15-4-3-5-16(18)12-15/h3-5,12-14,17H,6-11,19H2,1-2H3
InChIKeyPZRWIPLZVRYURE-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.21
Rot. Bonds5

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

1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine (PubChem CID 103502679) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
PubChem CID103502679
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
SMILESCC(C)C1CCN(CCC(N)c2cccc(Br)c2)CC1
InChIInChI=1S/C17H27BrN2/c1-13(2)14-6-9-20(10-7-14)11-8-17(19)15-4-3-5-16(18)12-15/h3-5,12-14,17H,6-11,19H2,1-2H3
InChIKeyPZRWIPLZVRYURE-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine (CID 103502679) is 1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine is CC(C)C1CCN(CCC(N)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
The InChIKey is PZRWIPLZVRYURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-13(2)14-6-9-20(10-7-14)11-8-17(19)15-4-3-5-16(18)12-15/h3-5,12-14,17H,6-11,19H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine has a molecular weight of 339.32 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 103502679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).