1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine

C11H23N3 — CID 95913076

IUPAC1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine
SMILESC[C@H]1C[C@@H](N2CCNCC2)CCN1C
InChIInChI=1S/C11H23N3/c1-10-9-11(3-6-13(10)2)14-7-4-12-5-8-14/h10-12H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyGLOYJXHVEIKBSG-QWRGUYRKSA-N
MW197.33 g/mol
LogP0.37
Rot. Bonds1

About 1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine

1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine (PubChem CID 95913076) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine
PubChem CID95913076
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine
SMILESC[C@H]1C[C@@H](N2CCNCC2)CCN1C
InChIInChI=1S/C11H23N3/c1-10-9-11(3-6-13(10)2)14-7-4-12-5-8-14/h10-12H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyGLOYJXHVEIKBSG-QWRGUYRKSA-N
XLogP0.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-methylcyclopentyl)-1,5-diazocane
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3-piperazin-1-ylcyclopentan-1-ol
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CID 118210284
3-(1,2-dimethylpiperidin-4-yl)-2-methylimidazolidin-4-one
CID 83259997
3-(1,4-diazepan-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane;trihydrochloride
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6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane
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(3R)-3-piperazin-1-ylcyclohexan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine?
The IUPAC name of 1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine (CID 95913076) is 1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine.
What is the SMILES notation for 1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine?
The canonical SMILES for 1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine is C[C@H]1C[C@@H](N2CCNCC2)CCN1C.
What is the InChIKey of 1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine?
The InChIKey is GLOYJXHVEIKBSG-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H23N3/c1-10-9-11(3-6-13(10)2)14-7-4-12-5-8-14/h10-12H,3-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of 1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine?
1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine has a molecular weight of 197.33 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine is sourced from PubChem (CID 95913076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).