3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol

C14H25N3O — CID 114510495

IUPAC3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol
SMILESCCC1CNCCC1(O)Cc1cc(C)nn1CC
InChIInChI=1S/C14H25N3O/c1-4-12-10-15-7-6-14(12,18)9-13-8-11(3)16-17(13)5-2/h8,12,15,18H,4-7,9-10H2,1-3H3
InChIKeyJAKUWWJXTCIEAP-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.50
Rot. Bonds4

About 3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol

3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol (PubChem CID 114510495) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol
PubChem CID114510495
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol
SMILESCCC1CNCCC1(O)Cc1cc(C)nn1CC
InChIInChI=1S/C14H25N3O/c1-4-12-10-15-7-6-14(12,18)9-13-8-11(3)16-17(13)5-2/h8,12,15,18H,4-7,9-10H2,1-3H3
InChIKeyJAKUWWJXTCIEAP-UHFFFAOYSA-N
XLogP1.50
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol (CID 114510495) is 3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol is CCC1CNCCC1(O)Cc1cc(C)nn1CC.
What is the InChIKey of 3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol?
The InChIKey is JAKUWWJXTCIEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-12-10-15-7-6-14(12,18)9-13-8-11(3)16-17(13)5-2/h8,12,15,18H,4-7,9-10H2,1-3H3.
What are the key properties of 3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol?
3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol has a molecular weight of 251.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 114510495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).