1-tert-butyl-4-(1,5-dimethylpyrazol-3-yl)oxypiperidine

C14H25N3O — CID 138637271

IUPAC1-tert-butyl-4-(1,5-dimethylpyrazol-3-yl)oxypiperidine
SMILESCc1cc(OC2CCN(C(C)(C)C)CC2)nn1C
InChIInChI=1S/C14H25N3O/c1-11-10-13(15-16(11)5)18-12-6-8-17(9-7-12)14(2,3)4/h10,12H,6-9H2,1-5H3
InChIKeyZKTAGVNPDKBMCQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.37
Rot. Bonds2

About 1-tert-butyl-4-(1,5-dimethylpyrazol-3-yl)oxypiperidine

1-tert-butyl-4-(1,5-dimethylpyrazol-3-yl)oxypiperidine (PubChem CID 138637271) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-tert-butyl-4-(1,5-dimethylpyrazol-3-yl)oxypiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(1,5-dimethylpyrazol-3-yl)oxypiperidine
PubChem CID138637271
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-tert-butyl-4-(1,5-dimethylpyrazol-3-yl)oxypiperidine
SMILESCc1cc(OC2CCN(C(C)(C)C)CC2)nn1C
InChIInChI=1S/C14H25N3O/c1-11-10-13(15-16(11)5)18-12-6-8-17(9-7-12)14(2,3)4/h10,12H,6-9H2,1-5H3
InChIKeyZKTAGVNPDKBMCQ-UHFFFAOYSA-N
XLogP2.37
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyloxy-1,5-dimethylpyrazole
CID 167562867
3-cyclopentyloxy-1,5-dimethylpyrazole
CID 131020500
4-(1-tert-butylpiperidin-4-yl)oxy-1H-pyridin-2-one
CID 68725705
N-(1,5-dimethylpyrazol-3-yl)-2-(4-pyrazin-2-yloxypiperidin-1-yl)acetamide
CID 46981203
1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 59522786
N-(1,5-dimethylpyrazol-3-yl)oxymethanamine
CID 139386130
1-tert-butyl-4-(3-methylcyclohexa-1,5-dien-1-yl)oxypiperidine
CID 146201419
1-tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine
CID 118230663
3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one
CID 70846019
2-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine
CID 80872793
N-ethyl-2-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine
CID 80873426
[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 1,5-dimethylpyrazole-3-carboxylate
CID 86953636

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(1,5-dimethylpyrazol-3-yl)oxypiperidine?
The IUPAC name of 1-tert-butyl-4-(1,5-dimethylpyrazol-3-yl)oxypiperidine (CID 138637271) is 1-tert-butyl-4-(1,5-dimethylpyrazol-3-yl)oxypiperidine.
What is the SMILES notation for 1-tert-butyl-4-(1,5-dimethylpyrazol-3-yl)oxypiperidine?
The canonical SMILES for 1-tert-butyl-4-(1,5-dimethylpyrazol-3-yl)oxypiperidine is Cc1cc(OC2CCN(C(C)(C)C)CC2)nn1C.
What is the InChIKey of 1-tert-butyl-4-(1,5-dimethylpyrazol-3-yl)oxypiperidine?
The InChIKey is ZKTAGVNPDKBMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11-10-13(15-16(11)5)18-12-6-8-17(9-7-12)14(2,3)4/h10,12H,6-9H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(1,5-dimethylpyrazol-3-yl)oxypiperidine?
1-tert-butyl-4-(1,5-dimethylpyrazol-3-yl)oxypiperidine has a molecular weight of 251.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(1,5-dimethylpyrazol-3-yl)oxypiperidine is sourced from PubChem (CID 138637271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).