tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate

C14H23N3O2 — CID 122270741

IUPACtert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCn1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-9-5-11(6-10-17)12-7-8-16(4)15-12/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyPDRXLDNQBRGPAP-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.53
Rot. Bonds1

About tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate (PubChem CID 122270741) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
PubChem CID122270741
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
SMILESCn1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-9-5-11(6-10-17)12-7-8-16(4)15-12/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyPDRXLDNQBRGPAP-UHFFFAOYSA-N
XLogP2.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
CID 148649807
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 145108987
tert-butyl 4-[1-(5-chloro-2-pyridinyl)pyrazol-3-yl]piperidine-1-carboxylate
CID 118166904
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl 3-(1-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate
CID 107092126
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
CID 168797696
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
tert-butyl 4-[1-[(2,4-difluorophenyl)methoxy]pyrazol-3-yl]piperidine-1-carboxylate
CID 164914492
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 167190668
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate (CID 122270741) is tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate is Cn1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate?
The InChIKey is PDRXLDNQBRGPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17-9-5-11(6-10-17)12-7-8-16(4)15-12/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 122270741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).