1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol

C14H25N3O — CID 114502633

IUPAC1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol
SMILESCCc1cc(CN2CCC(O)C(C)C2)n(CC)n1
InChIInChI=1S/C14H25N3O/c1-4-12-8-13(17(5-2)15-12)10-16-7-6-14(18)11(3)9-16/h8,11,14,18H,4-7,9-10H2,1-3H3
InChIKeyAAUUMPSPNWVXRM-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.67
Rot. Bonds4

About 1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol

1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol (PubChem CID 114502633) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol
PubChem CID114502633
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol
SMILESCCc1cc(CN2CCC(O)C(C)C2)n(CC)n1
InChIInChI=1S/C14H25N3O/c1-4-12-8-13(17(5-2)15-12)10-16-7-6-14(18)11(3)9-16/h8,11,14,18H,4-7,9-10H2,1-3H3
InChIKeyAAUUMPSPNWVXRM-UHFFFAOYSA-N
XLogP1.67
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol (CID 114502633) is 1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol is CCc1cc(CN2CCC(O)C(C)C2)n(CC)n1.
What is the InChIKey of 1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is AAUUMPSPNWVXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-12-8-13(17(5-2)15-12)10-16-7-6-14(18)11(3)9-16/h8,11,14,18H,4-7,9-10H2,1-3H3.
What are the key properties of 1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol?
1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 251.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114502633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).