1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine

C13H23N3O — CID 138636935

IUPAC1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine
SMILESCn1nccc1OC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C13H23N3O/c1-13(2,3)16-9-5-6-11(10-16)17-12-7-8-14-15(12)4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyIHNMJLJDVUGAND-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.06
Rot. Bonds2

About 1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine

1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine (PubChem CID 138636935) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine.

Molecular Properties

Compound Name1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine
PubChem CID138636935
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine
SMILESCn1nccc1OC1CCCN(C(C)(C)C)C1
InChIInChI=1S/C13H23N3O/c1-13(2,3)16-9-5-6-11(10-16)17-12-7-8-14-15(12)4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyIHNMJLJDVUGAND-UHFFFAOYSA-N
XLogP2.06
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-tert-butylpiperidin-3-yl)oxypyridine
CID 138636947
3-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine
CID 18712952
4-(1-tert-butylpiperidin-3-yl)oxy-2-chloropyridine
CID 87418046
1-tert-butyl-3-(2-methylphenoxy)piperidine
CID 18712970
2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol
CID 137045913
(3S)-1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine
CID 176612652
(3S)-1-methyl-3-(1-methylpyrazol-4-yl)oxypiperidine
CID 176675609
(1R)-1-(4-methoxyphenyl)-1-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 100673530
1-tert-butyl-N-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 106757617
2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine
CID 117411189
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
3-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 129199078

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine?
The IUPAC name of 1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine (CID 138636935) is 1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine.
What is the SMILES notation for 1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine?
The canonical SMILES for 1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine is Cn1nccc1OC1CCCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine?
The InChIKey is IHNMJLJDVUGAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,3)16-9-5-6-11(10-16)17-12-7-8-14-15(12)4/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of 1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine?
1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine has a molecular weight of 237.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine is sourced from PubChem (CID 138636935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).