(3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone

C12H23N3O — CID 104913945

IUPAC(3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone
SMILESCC1CN(C(=O)[C@@H]2CCCCN2)CCN1C
InChIInChI=1S/C12H23N3O/c1-10-9-15(8-7-14(10)2)12(16)11-5-3-4-6-13-11/h10-11,13H,3-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyIPIOSRLKZZSGGK-DTIOYNMSSA-N
MW225.34 g/mol
LogP0.29
Rot. Bonds1

About (3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone

(3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone (PubChem CID 104913945) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone
PubChem CID104913945
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone
SMILESCC1CN(C(=O)[C@@H]2CCCCN2)CCN1C
InChIInChI=1S/C12H23N3O/c1-10-9-15(8-7-14(10)2)12(16)11-5-3-4-6-13-11/h10-11,13H,3-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyIPIOSRLKZZSGGK-DTIOYNMSSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901147
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129380988
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(azepan-2-yl)methanone
CID 64563235
(4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104940916
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 124694570
[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119838507

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The IUPAC name of (3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone (CID 104913945) is (3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone.
What is the SMILES notation for (3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The canonical SMILES for (3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone is CC1CN(C(=O)[C@@H]2CCCCN2)CCN1C.
What is the InChIKey of (3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The InChIKey is IPIOSRLKZZSGGK-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10-9-15(8-7-14(10)2)12(16)11-5-3-4-6-13-11/h10-11,13H,3-9H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of (3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone?
(3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone has a molecular weight of 225.34 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone is sourced from PubChem (CID 104913945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).