[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol

C17H24N4O — CID 53193338

IUPAC[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCc1c(CN2CCC(C(O)c3ccccn3)CC2)cnn1C
InChIInChI=1S/C17H24N4O/c1-13-15(11-19-20(13)2)12-21-9-6-14(7-10-21)17(22)16-5-3-4-8-18-16/h3-5,8,11,14,17,22H,6-7,9-10,12H2,1-2H3
InChIKeyBTWXDKCMVSJHND-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.07
Rot. Bonds4

About [1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol

[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol (PubChem CID 53193338) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is [1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
PubChem CID53193338
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCc1c(CN2CCC(C(O)c3ccccn3)CC2)cnn1C
InChIInChI=1S/C17H24N4O/c1-13-15(11-19-20(13)2)12-21-9-6-14(7-10-21)17(22)16-5-3-4-8-18-16/h3-5,8,11,14,17,22H,6-7,9-10,12H2,1-2H3
InChIKeyBTWXDKCMVSJHND-UHFFFAOYSA-N
XLogP2.07
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of [1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol (CID 53193338) is [1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol is Cc1c(CN2CCC(C(O)c3ccccn3)CC2)cnn1C.
What is the InChIKey of [1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The InChIKey is BTWXDKCMVSJHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-15(11-19-20(13)2)12-21-9-6-14(7-10-21)17(22)16-5-3-4-8-18-16/h3-5,8,11,14,17,22H,6-7,9-10,12H2,1-2H3.
What are the key properties of [1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol has a molecular weight of 300.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 53193338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).