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

C12H22N4O — CID 43133230

IUPAC[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-yl]methanol
SMILESCc1nn(C)c(N2CCC(CO)CC2)c1CN
InChIInChI=1S/C12H22N4O/c1-9-11(7-13)12(15(2)14-9)16-5-3-10(8-17)4-6-16/h10,17H,3-8,13H2,1-2H3
InChIKeyXZGUHTAMTJPTNJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.40
Rot. Bonds3

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

[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-yl]methanol (PubChem CID 43133230) 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-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-yl]methanol
PubChem CID43133230
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-yl]methanol
SMILESCc1nn(C)c(N2CCC(CO)CC2)c1CN
InChIInChI=1S/C12H22N4O/c1-9-11(7-13)12(15(2)14-9)16-5-3-10(8-17)4-6-16/h10,17H,3-8,13H2,1-2H3
InChIKeyXZGUHTAMTJPTNJ-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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Frequently Asked Questions

What is the IUPAC name of [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-yl]methanol (CID 43133230) is [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-yl]methanol is Cc1nn(C)c(N2CCC(CO)CC2)c1CN.
What is the InChIKey of [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-yl]methanol?
The InChIKey is XZGUHTAMTJPTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-11(7-13)12(15(2)14-9)16-5-3-10(8-17)4-6-16/h10,17H,3-8,13H2,1-2H3.
What are the key properties of [1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-yl]methanol?
[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-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-4-yl]methanol is sourced from PubChem (CID 43133230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).