(2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine

C15H25N3 — CID 22689467

IUPAC(2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine
SMILESCC(C)[C@H](N)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H25N3/c1-13(2)15(16)12-17-8-10-18(11-9-17)14-6-4-3-5-7-14/h3-7,13,15H,8-12,16H2,1-2H3/t15-/m1/s1
InChIKeyDLDAMYDEQDJFOP-OAHLLOKOSA-N
MW247.39 g/mol
LogP1.79
Rot. Bonds4

About (2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine

(2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine (PubChem CID 22689467) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine
PubChem CID22689467
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine
SMILESCC(C)[C@H](N)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H25N3/c1-13(2)15(16)12-17-8-10-18(11-9-17)14-6-4-3-5-7-14/h3-7,13,15H,8-12,16H2,1-2H3/t15-/m1/s1
InChIKeyDLDAMYDEQDJFOP-OAHLLOKOSA-N
XLogP1.79
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine?
The IUPAC name of (2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine (CID 22689467) is (2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine.
What is the SMILES notation for (2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine?
The canonical SMILES for (2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine is CC(C)[C@H](N)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of (2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine?
The InChIKey is DLDAMYDEQDJFOP-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(2)15(16)12-17-8-10-18(11-9-17)14-6-4-3-5-7-14/h3-7,13,15H,8-12,16H2,1-2H3/t15-/m1/s1.
What are the key properties of (2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine?
(2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine has a molecular weight of 247.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine is sourced from PubChem (CID 22689467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).