[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol

C12H22N4O — CID 43590482

IUPAC[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol
SMILESCc1nn(C)c(N2CCCC(CO)C2)c1CN
InChIInChI=1S/C12H22N4O/c1-9-11(6-13)12(15(2)14-9)16-5-3-4-10(7-16)8-17/h10,17H,3-8,13H2,1-2H3
InChIKeyBSYRQKQRMAMREG-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.40
Rot. Bonds3

About [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol

[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol (PubChem CID 43590482) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol
PubChem CID43590482
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol
SMILESCc1nn(C)c(N2CCCC(CO)C2)c1CN
InChIInChI=1S/C12H22N4O/c1-9-11(6-13)12(15(2)14-9)16-5-3-4-10(7-16)8-17/h10,17H,3-8,13H2,1-2H3
InChIKeyBSYRQKQRMAMREG-UHFFFAOYSA-N
XLogP0.40
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1,3-dimethyl-5-(3-methylpiperidin-1-yl)pyrazol-4-yl]methanamine
CID 43122238
[1-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]methanol
CID 112626629
2-[1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol
CID 107228127
[1-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperidin-3-yl]methanol
CID 66020017
[1-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperidin-3-yl]methanol
CID 81050851
2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol
CID 107228099
5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43584190
[5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 65283757
5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 43584669
[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol
CID 116634087
[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)piperidin-3-yl]methanol
CID 66012620
[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine
CID 66392435

Frequently Asked Questions

What is the IUPAC name of [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol (CID 43590482) is [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol is Cc1nn(C)c(N2CCCC(CO)C2)c1CN.
What is the InChIKey of [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol?
The InChIKey is BSYRQKQRMAMREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-11(6-13)12(15(2)14-9)16-5-3-4-10(7-16)8-17/h10,17H,3-8,13H2,1-2H3.
What are the key properties of [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol?
[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol has a molecular weight of 238.33 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 43590482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).