3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine

C16H27N3 — CID 43829761

IUPAC3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine
SMILESCC(C)C(N)(CN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H27N3/c1-14(2)16(17,15-7-5-4-6-8-15)13-19-11-9-18(3)10-12-19/h4-8,14H,9-13,17H2,1-3H3
InChIKeyUOBZESKZBDBIBU-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.74
Rot. Bonds4

About 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine

3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine (PubChem CID 43829761) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine
PubChem CID43829761
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine
SMILESCC(C)C(N)(CN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H27N3/c1-14(2)16(17,15-7-5-4-6-8-15)13-19-11-9-18(3)10-12-19/h4-8,14H,9-13,17H2,1-3H3
InChIKeyUOBZESKZBDBIBU-UHFFFAOYSA-N
XLogP1.74
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine?
The IUPAC name of 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine (CID 43829761) is 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine.
What is the SMILES notation for 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine?
The canonical SMILES for 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine is CC(C)C(N)(CN1CCN(C)CC1)c1ccccc1.
What is the InChIKey of 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine?
The InChIKey is UOBZESKZBDBIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14(2)16(17,15-7-5-4-6-8-15)13-19-11-9-18(3)10-12-19/h4-8,14H,9-13,17H2,1-3H3.
What are the key properties of 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine?
3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine is sourced from PubChem (CID 43829761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).