N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-2-ylpropan-2-amine

C17H27BrN2 — CID 79537837

IUPACN-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-2-ylpropan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NC(C)CC1CCCCN1
InChIInChI=1S/C17H27BrN2/c1-13(11-15-6-8-16(18)9-7-15)20-14(2)12-17-5-3-4-10-19-17/h6-9,13-14,17,19-20H,3-5,10-12H2,1-2H3
InChIKeyRJEGBMCBWCEGLF-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.89
Rot. Bonds6

About N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-2-ylpropan-2-amine

N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-2-ylpropan-2-amine (PubChem CID 79537837) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-2-ylpropan-2-amine
PubChem CID79537837
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-2-ylpropan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NC(C)CC1CCCCN1
InChIInChI=1S/C17H27BrN2/c1-13(11-15-6-8-16(18)9-7-15)20-14(2)12-17-5-3-4-10-19-17/h6-9,13-14,17,19-20H,3-5,10-12H2,1-2H3
InChIKeyRJEGBMCBWCEGLF-UHFFFAOYSA-N
XLogP3.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-2-ylpropan-2-amine?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-2-ylpropan-2-amine (CID 79537837) is N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-2-ylpropan-2-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-2-ylpropan-2-amine is CC(Cc1ccc(Br)cc1)NC(C)CC1CCCCN1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-2-ylpropan-2-amine?
The InChIKey is RJEGBMCBWCEGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-13(11-15-6-8-16(18)9-7-15)20-14(2)12-17-5-3-4-10-19-17/h6-9,13-14,17,19-20H,3-5,10-12H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-2-ylpropan-2-amine?
N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-2-ylpropan-2-amine has a molecular weight of 339.32 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-2-ylpropan-2-amine is sourced from PubChem (CID 79537837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).