(3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine

C10H17N3O — CID 176675609

IUPAC(3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine
SMILESCN1CCC[C@H](Oc2cnn(C)c2)C1
InChIInChI=1S/C10H17N3O/c1-12-5-3-4-9(7-12)14-10-6-11-13(2)8-10/h6,8-9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyLJFCMLHGRAKWDF-VIFPVBQESA-N
MW195.27 g/mol
LogP0.89
Rot. Bonds2

About (3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine

(3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine (PubChem CID 176675609) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine.

Molecular Properties

Compound Name(3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine
PubChem CID176675609
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine
SMILESCN1CCC[C@H](Oc2cnn(C)c2)C1
InChIInChI=1S/C10H17N3O/c1-12-5-3-4-9(7-12)14-10-6-11-13(2)8-10/h6,8-9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyLJFCMLHGRAKWDF-VIFPVBQESA-N
XLogP0.89
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-Ethylpyrazol-4-yl)oxyethyl]piperidine
CID 99785968
1-Ethyl-4-[2-(oxolan-2-ylmethoxy)ethoxy]pyrazole
CID 102563823
3,3-Difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine
CID 129277945
3,3-Difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylic acid
CID 129277952
Tert-butyl 3,3-difluoro-4-(1-methylpyrazol-4-yl)oxypiperidine-1-carboxylate
CID 129278435
4-[(1S)-3,3-difluorocyclohexyl]oxy-1-propan-2-ylpyrazole
CID 167026492
[(3S)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate
CID 170306017
[(3R)-3-(1-methylpyrazol-4-yl)oxypiperidin-1-yl] 2,2,2-trifluoroacetate
CID 170306642
4-[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]oxypiperidine
CID 174287924
4-Propan-2-yloxy-1-(2,2,2-trifluoroethyl)pyrazole
CID 176692641
4-ethoxy-1-methyl-1H-pyrazole
CID 22402690
1-Propyl-4-[3-(2,2,2-trifluoroethoxy)propoxy]pyrazole
CID 113566281

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine?
The IUPAC name of (3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine (CID 176675609) is (3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine.
What is the SMILES notation for (3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine?
The canonical SMILES for (3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine is CN1CCC[C@H](Oc2cnn(C)c2)C1.
What is the InChIKey of (3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine?
The InChIKey is LJFCMLHGRAKWDF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O/c1-12-5-3-4-9(7-12)14-10-6-11-13(2)8-10/h6,8-9H,3-5,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine?
(3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine has a molecular weight of 195.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine is sourced from PubChem (CID 176675609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).