(2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine

C10H22N2 — CID 94982663

IUPAC(2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine
SMILESCC(C)[C@H]1CNC(C)(C)CN1C
InChIInChI=1S/C10H22N2/c1-8(2)9-6-11-10(3,4)7-12(9)5/h8-9,11H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyXMYGZEPMSDOZBB-SECBINFHSA-N
MW170.30 g/mol
LogP1.32
Rot. Bonds1

About (2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine

(2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine (PubChem CID 94982663) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine
PubChem CID94982663
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine
SMILESCC(C)[C@H]1CNC(C)(C)CN1C
InChIInChI=1S/C10H22N2/c1-8(2)9-6-11-10(3,4)7-12(9)5/h8-9,11H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyXMYGZEPMSDOZBB-SECBINFHSA-N
XLogP1.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine?
The IUPAC name of (2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine (CID 94982663) is (2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for (2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for (2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine is CC(C)[C@H]1CNC(C)(C)CN1C.
What is the InChIKey of (2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine?
The InChIKey is XMYGZEPMSDOZBB-SECBINFHSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(2)9-6-11-10(3,4)7-12(9)5/h8-9,11H,6-7H2,1-5H3/t9-/m1/s1.
What are the key properties of (2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine?
(2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine has a molecular weight of 170.30 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 94982663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).