2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol

C13H24N4O — CID 64830712

IUPAC2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESNCCC1CCN(Cc2cnn(CCO)c2)CC1
InChIInChI=1S/C13H24N4O/c14-4-1-12-2-5-16(6-3-12)10-13-9-15-17(11-13)7-8-18/h9,11-12,18H,1-8,10,14H2
InChIKeyRZXDXOWUICNDBP-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.44
Rot. Bonds6

About 2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol

2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol (PubChem CID 64830712) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
PubChem CID64830712
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESNCCC1CCN(Cc2cnn(CCO)c2)CC1
InChIInChI=1S/C13H24N4O/c14-4-1-12-2-5-16(6-3-12)10-13-9-15-17(11-13)7-8-18/h9,11-12,18H,1-8,10,14H2
InChIKeyRZXDXOWUICNDBP-UHFFFAOYSA-N
XLogP0.44
TPSA67.31 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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 103572299
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 62126920
2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 115300045
N-(2-aminoethyl)-1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 64829338
2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115883006
2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 64830711
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine
CID 163390202
2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64830590
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
[1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine
CID 146194383

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol (CID 64830712) is 2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol is NCCC1CCN(Cc2cnn(CCO)c2)CC1.
What is the InChIKey of 2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The InChIKey is RZXDXOWUICNDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c14-4-1-12-2-5-16(6-3-12)10-13-9-15-17(11-13)7-8-18/h9,11-12,18H,1-8,10,14H2.
What are the key properties of 2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol has a molecular weight of 252.36 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64830712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).