[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol

C13H24N4O — CID 43281529

IUPAC[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol
SMILESCNCc1c(C)nn(C)c1N1CCC(CO)CC1
InChIInChI=1S/C13H24N4O/c1-10-12(8-14-2)13(16(3)15-10)17-6-4-11(9-18)5-7-17/h11,14,18H,4-9H2,1-3H3
InChIKeyOYVSAEDNXOZXLI-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.66
Rot. Bonds4

About [1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol

[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol (PubChem CID 43281529) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is [1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol
PubChem CID43281529
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol
SMILESCNCc1c(C)nn(C)c1N1CCC(CO)CC1
InChIInChI=1S/C13H24N4O/c1-10-12(8-14-2)13(16(3)15-10)17-6-4-11(9-18)5-7-17/h11,14,18H,4-9H2,1-3H3
InChIKeyOYVSAEDNXOZXLI-UHFFFAOYSA-N
XLogP0.66
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol (CID 43281529) is [1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol is CNCc1c(C)nn(C)c1N1CCC(CO)CC1.
What is the InChIKey of [1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol?
The InChIKey is OYVSAEDNXOZXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10-12(8-14-2)13(16(3)15-10)17-6-4-11(9-18)5-7-17/h11,14,18H,4-9H2,1-3H3.
What are the key properties of [1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol?
[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol has a molecular weight of 252.36 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 43281529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).