[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol

C15H25N3O — CID 86283580

IUPAC[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(Cc2c(C)n[nH]c2C)C1
InChIInChI=1S/C15H25N3O/c1-4-6-15(11-19)7-5-8-18(10-15)9-14-12(2)16-17-13(14)3/h4,19H,1,5-11H2,2-3H3,(H,16,17)
InChIKeyPAXFOVWUAHCQCS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.18
Rot. Bonds5

About [1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol

[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 86283580) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID86283580
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(Cc2c(C)n[nH]c2C)C1
InChIInChI=1S/C15H25N3O/c1-4-6-15(11-19)7-5-8-18(10-15)9-14-12(2)16-17-13(14)3/h4,19H,1,5-11H2,2-3H3,(H,16,17)
InChIKeyPAXFOVWUAHCQCS-UHFFFAOYSA-N
XLogP2.18
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol (CID 86283580) is [1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol is C=CCC1(CO)CCCN(Cc2c(C)n[nH]c2C)C1.
What is the InChIKey of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is PAXFOVWUAHCQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-6-15(11-19)7-5-8-18(10-15)9-14-12(2)16-17-13(14)3/h4,19H,1,5-11H2,2-3H3,(H,16,17).
What are the key properties of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 86283580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).