2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol

C13H24N4O — CID 64830711

IUPAC2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCC1CCC(CN)CN1Cc1cnn(CCO)c1
InChIInChI=1S/C13H24N4O/c1-11-2-3-12(6-14)8-16(11)9-13-7-15-17(10-13)4-5-18/h7,10-12,18H,2-6,8-9,14H2,1H3
InChIKeyAUWFHIFWZLHFCR-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.43
Rot. Bonds5

About 2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol

2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol (PubChem CID 64830711) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol
PubChem CID64830711
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCC1CCC(CN)CN1Cc1cnn(CCO)c1
InChIInChI=1S/C13H24N4O/c1-11-2-3-12(6-14)8-16(11)9-13-7-15-17(10-13)4-5-18/h7,10-12,18H,2-6,8-9,14H2,1H3
InChIKeyAUWFHIFWZLHFCR-UHFFFAOYSA-N
XLogP0.43
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol (CID 64830711) is 2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol is CC1CCC(CN)CN1Cc1cnn(CCO)c1.
What is the InChIKey of 2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The InChIKey is AUWFHIFWZLHFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11-2-3-12(6-14)8-16(11)9-13-7-15-17(10-13)4-5-18/h7,10-12,18H,2-6,8-9,14H2,1H3.
What are the key properties of 2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol has a molecular weight of 252.36 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64830711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).