4-(1-methylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine

C14H25N3O — CID 86773523

IUPAC4-(1-methylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)OCCN1CCC(c2cnn(C)c2)CC1
InChIInChI=1S/C14H25N3O/c1-12(2)18-9-8-17-6-4-13(5-7-17)14-10-15-16(3)11-14/h10-13H,4-9H2,1-3H3
InChIKeyRLRYTNAFRWKMNL-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.02
Rot. Bonds5

About 4-(1-methylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine

4-(1-methylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine (PubChem CID 86773523) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine
PubChem CID86773523
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-(1-methylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)OCCN1CCC(c2cnn(C)c2)CC1
InChIInChI=1S/C14H25N3O/c1-12(2)18-9-8-17-6-4-13(5-7-17)14-10-15-16(3)11-14/h10-13H,4-9H2,1-3H3
InChIKeyRLRYTNAFRWKMNL-UHFFFAOYSA-N
XLogP2.02
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine (CID 86773523) is 4-(1-methylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine is CC(C)OCCN1CCC(c2cnn(C)c2)CC1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine?
The InChIKey is RLRYTNAFRWKMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(2)18-9-8-17-6-4-13(5-7-17)14-10-15-16(3)11-14/h10-13H,4-9H2,1-3H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine?
4-(1-methylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine has a molecular weight of 251.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-1-(2-propan-2-yloxyethyl)piperidine is sourced from PubChem (CID 86773523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).