methyl (2R)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-2-carboxylate

C12H19N3O2 — CID 82877307

IUPACmethyl (2R)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1ccn(C)n1
InChIInChI=1S/C12H19N3O2/c1-14-8-6-10(13-14)9-15-7-4-3-5-11(15)12(16)17-2/h6,8,11H,3-5,7,9H2,1-2H3/t11-/m1/s1
InChIKeyXZMHSJQXDVBYSZ-LLVKDONJSA-N
MW237.30 g/mol
LogP0.95
Rot. Bonds3

About methyl (2R)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-2-carboxylate

methyl (2R)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-2-carboxylate (PubChem CID 82877307) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl (2R)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-2-carboxylate
PubChem CID82877307
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl (2R)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1Cc1ccn(C)n1
InChIInChI=1S/C12H19N3O2/c1-14-8-6-10(13-14)9-15-7-4-3-5-11(15)12(16)17-2/h6,8,11H,3-5,7,9H2,1-2H3/t11-/m1/s1
InChIKeyXZMHSJQXDVBYSZ-LLVKDONJSA-N
XLogP0.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-2-carboxylate (CID 82877307) is methyl (2R)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1Cc1ccn(C)n1.
What is the InChIKey of methyl (2R)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-2-carboxylate?
The InChIKey is XZMHSJQXDVBYSZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-8-6-10(13-14)9-15-7-4-3-5-11(15)12(16)17-2/h6,8,11H,3-5,7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of methyl (2R)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-2-carboxylate?
methyl (2R)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-2-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 82877307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).