2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine

C16H26ClN3 — CID 61351960

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)(CN)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H26ClN3/c1-13(2)16(3,12-18)20-10-8-19(9-11-20)15-6-4-14(17)5-7-15/h4-7,13H,8-12,18H2,1-3H3
InChIKeyVEBYMVRJDOZLHI-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.84
Rot. Bonds4

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine

2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine (PubChem CID 61351960) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine
PubChem CID61351960
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)(CN)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H26ClN3/c1-13(2)16(3,12-18)20-10-8-19(9-11-20)15-6-4-14(17)5-7-15/h4-7,13H,8-12,18H2,1-3H3
InChIKeyVEBYMVRJDOZLHI-UHFFFAOYSA-N
XLogP2.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine (CID 61351960) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine is CC(C)C(C)(CN)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine?
The InChIKey is VEBYMVRJDOZLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-13(2)16(3,12-18)20-10-8-19(9-11-20)15-6-4-14(17)5-7-15/h4-7,13H,8-12,18H2,1-3H3.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine?
2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine has a molecular weight of 295.86 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 61351960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).