2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol

C13H24N4O — CID 64830590

IUPAC2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
SMILESCN1CCC(CNCc2cnn(CCO)c2)CC1
InChIInChI=1S/C13H24N4O/c1-16-4-2-12(3-5-16)8-14-9-13-10-15-17(11-13)6-7-18/h10-12,14,18H,2-9H2,1H3
InChIKeyLTBQOKHVWKADJJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.31
Rot. Bonds6

About 2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol

2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64830590) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID64830590
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
SMILESCN1CCC(CNCc2cnn(CCO)c2)CC1
InChIInChI=1S/C13H24N4O/c1-16-4-2-12(3-5-16)8-14-9-13-10-15-17(11-13)6-7-18/h10-12,14,18H,2-9H2,1H3
InChIKeyLTBQOKHVWKADJJ-UHFFFAOYSA-N
XLogP0.31
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64831318
N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855406
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3R)-1-methylpiperidin-3-yl]methanamine
CID 94358827
N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63243485
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784
2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64831182
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine
CID 62127942
methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate
CID 64829565
2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol
CID 64830147
2-[4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]triazol-1-yl]ethanol
CID 66269246
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine
CID 163390202
2-[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]pyrazol-1-yl]ethanol
CID 64830339

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol (CID 64830590) is 2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol is CN1CCC(CNCc2cnn(CCO)c2)CC1.
What is the InChIKey of 2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is LTBQOKHVWKADJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-16-4-2-12(3-5-16)8-14-9-13-10-15-17(11-13)6-7-18/h10-12,14,18H,2-9H2,1H3.
What are the key properties of 2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 252.36 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64830590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).