(2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine

C12H25N3 — CID 82755408

IUPAC(2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine
SMILESC[C@H]1CNCCN1CCN1CCCCC1
InChIInChI=1S/C12H25N3/c1-12-11-13-5-8-15(12)10-9-14-6-3-2-4-7-14/h12-13H,2-11H2,1H3/t12-/m0/s1
InChIKeyXDEKMWKGATZFOH-LBPRGKRZSA-N
MW211.35 g/mol
LogP0.77
Rot. Bonds3

About (2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine

(2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine (PubChem CID 82755408) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is (2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine
PubChem CID82755408
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name(2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine
SMILESC[C@H]1CNCCN1CCN1CCCCC1
InChIInChI=1S/C12H25N3/c1-12-11-13-5-8-15(12)10-9-14-6-3-2-4-7-14/h12-13H,2-11H2,1H3/t12-/m0/s1
InChIKeyXDEKMWKGATZFOH-LBPRGKRZSA-N
XLogP0.77
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine
CID 82761100
2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane
CID 82242419
4-[2-(2-methyl-1,4-diazepan-1-yl)ethyl]morpholine
CID 82242594
(2R)-1-(2-fluoroethyl)-2-methylpiperazine
CID 82761196
2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64565894
(2R)-1-(3-fluoropropyl)-2-methylpiperazine
CID 82761622
1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine
CID 115101353
(2R)-1-dodecyl-2-methylpiperazine
CID 82761023
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
ethane;(2S)-1-ethyl-2-methylpiperazine
CID 154651366
1-(2-ethylsulfonylethyl)-2-methylpiperazine
CID 62673181
(2S)-2-methyl-1-pent-3-ynylpiperazine
CID 104809127

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine?
The IUPAC name of (2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine (CID 82755408) is (2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine.
What is the SMILES notation for (2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine?
The canonical SMILES for (2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine is C[C@H]1CNCCN1CCN1CCCCC1.
What is the InChIKey of (2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine?
The InChIKey is XDEKMWKGATZFOH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25N3/c1-12-11-13-5-8-15(12)10-9-14-6-3-2-4-7-14/h12-13H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine?
(2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine has a molecular weight of 211.35 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(2-piperidin-1-ylethyl)piperazine is sourced from PubChem (CID 82755408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).