[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol

C12H21N3O — CID 104694713

IUPAC[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol
SMILESCn1nccc1CN1CCC(C)(CO)CC1
InChIInChI=1S/C12H21N3O/c1-12(10-16)4-7-15(8-5-12)9-11-3-6-13-14(11)2/h3,6,16H,4-5,7-10H2,1-2H3
InChIKeyPRGORXZUIUORII-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.01
Rot. Bonds3

About [4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol

[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol (PubChem CID 104694713) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol
PubChem CID104694713
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol
SMILESCn1nccc1CN1CCC(C)(CO)CC1
InChIInChI=1S/C12H21N3O/c1-12(10-16)4-7-15(8-5-12)9-11-3-6-13-14(11)2/h3,6,16H,4-5,7-10H2,1-2H3
InChIKeyPRGORXZUIUORII-UHFFFAOYSA-N
XLogP1.01
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol (CID 104694713) is [4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol is Cn1nccc1CN1CCC(C)(CO)CC1.
What is the InChIKey of [4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is PRGORXZUIUORII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(10-16)4-7-15(8-5-12)9-11-3-6-13-14(11)2/h3,6,16H,4-5,7-10H2,1-2H3.
What are the key properties of [4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol?
[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 104694713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).