1-[(2R,5S)-1,2,5-trimethylpiperidin-4-yl]piperazine

C12H25N3 — CID 170976169

IUPAC1-[(2R,5S)-1,2,5-trimethylpiperidin-4-yl]piperazine
SMILESC[C@@H]1CC(N2CCNCC2)[C@@H](C)CN1C
InChIInChI=1S/C12H25N3/c1-10-9-14(3)11(2)8-12(10)15-6-4-13-5-7-15/h10-13H,4-9H2,1-3H3/t10-,11+,12?/m0/s1
InChIKeyLFIREBIWTHMPSU-WIKAKEFZSA-N
MW211.35 g/mol
LogP0.62
Rot. Bonds1

About 1-[(2R,5S)-1,2,5-trimethylpiperidin-4-yl]piperazine

1-[(2R,5S)-1,2,5-trimethylpiperidin-4-yl]piperazine (PubChem CID 170976169) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[(2R,5S)-1,2,5-trimethylpiperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-[(2R,5S)-1,2,5-trimethylpiperidin-4-yl]piperazine
PubChem CID170976169
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-[(2R,5S)-1,2,5-trimethylpiperidin-4-yl]piperazine
SMILESC[C@@H]1CC(N2CCNCC2)[C@@H](C)CN1C
InChIInChI=1S/C12H25N3/c1-10-9-14(3)11(2)8-12(10)15-6-4-13-5-7-15/h10-13H,4-9H2,1-3H3/t10-,11+,12?/m0/s1
InChIKeyLFIREBIWTHMPSU-WIKAKEFZSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine
CID 95913076
1-[(1R,2S)-2-methylcyclohexyl]piperazine
CID 796159
ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine
CID 145040358
(2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol
CID 98394541
4-chloro-1,2,5-trimethylpiperidine
CID 71367708
(2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine
CID 98195230
3-amino-2-[(2R,4S,5S)-1,2,5-trimethylpiperidin-4-yl]-1H-pyrazol-5-one
CID 1260932
3-amino-2-[(2S,4S,5R)-1,2,5-trimethylpiperidin-4-yl]-1H-pyrazol-5-one
CID 7061484
2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane
CID 19420335
1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane
CID 114505872
1-(1,5-dimethylpyrrolidin-3-yl)-2,2-dimethylpiperazine
CID 81467918
3-methyl-1-azabicyclo[2.2.0]hexane;piperidine
CID 118163643

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-1,2,5-trimethylpiperidin-4-yl]piperazine?
The IUPAC name of 1-[(2R,5S)-1,2,5-trimethylpiperidin-4-yl]piperazine (CID 170976169) is 1-[(2R,5S)-1,2,5-trimethylpiperidin-4-yl]piperazine.
What is the SMILES notation for 1-[(2R,5S)-1,2,5-trimethylpiperidin-4-yl]piperazine?
The canonical SMILES for 1-[(2R,5S)-1,2,5-trimethylpiperidin-4-yl]piperazine is C[C@@H]1CC(N2CCNCC2)[C@@H](C)CN1C.
What is the InChIKey of 1-[(2R,5S)-1,2,5-trimethylpiperidin-4-yl]piperazine?
The InChIKey is LFIREBIWTHMPSU-WIKAKEFZSA-N. The full InChI is InChI=1S/C12H25N3/c1-10-9-14(3)11(2)8-12(10)15-6-4-13-5-7-15/h10-13H,4-9H2,1-3H3/t10-,11+,12?/m0/s1.
What are the key properties of 1-[(2R,5S)-1,2,5-trimethylpiperidin-4-yl]piperazine?
1-[(2R,5S)-1,2,5-trimethylpiperidin-4-yl]piperazine has a molecular weight of 211.35 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-1,2,5-trimethylpiperidin-4-yl]piperazine is sourced from PubChem (CID 170976169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).