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

C16H25BrN2 — CID 43740730

IUPACN-[2-(4-bromophenyl)propan-2-yl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC(C)(C)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H25BrN2/c1-4-19-11-9-15(10-12-19)18-16(2,3)13-5-7-14(17)8-6-13/h5-8,15,18H,4,9-12H2,1-3H3
InChIKeyKIRWSBBFCOVMFN-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.76
Rot. Bonds4

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

N-[2-(4-bromophenyl)propan-2-yl]-1-ethylpiperidin-4-amine (PubChem CID 43740730) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)propan-2-yl]-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)propan-2-yl]-1-ethylpiperidin-4-amine
PubChem CID43740730
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[2-(4-bromophenyl)propan-2-yl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC(C)(C)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H25BrN2/c1-4-19-11-9-15(10-12-19)18-16(2,3)13-5-7-14(17)8-6-13/h5-8,15,18H,4,9-12H2,1-3H3
InChIKeyKIRWSBBFCOVMFN-UHFFFAOYSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-1-ethylpiperidin-4-amine?
The IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-1-ethylpiperidin-4-amine (CID 43740730) is N-[2-(4-bromophenyl)propan-2-yl]-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)propan-2-yl]-1-ethylpiperidin-4-amine?
The canonical SMILES for N-[2-(4-bromophenyl)propan-2-yl]-1-ethylpiperidin-4-amine is CCN1CCC(NC(C)(C)c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[2-(4-bromophenyl)propan-2-yl]-1-ethylpiperidin-4-amine?
The InChIKey is KIRWSBBFCOVMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-4-19-11-9-15(10-12-19)18-16(2,3)13-5-7-14(17)8-6-13/h5-8,15,18H,4,9-12H2,1-3H3.
What are the key properties of N-[2-(4-bromophenyl)propan-2-yl]-1-ethylpiperidin-4-amine?
N-[2-(4-bromophenyl)propan-2-yl]-1-ethylpiperidin-4-amine has a molecular weight of 325.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)propan-2-yl]-1-ethylpiperidin-4-amine is sourced from PubChem (CID 43740730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).