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

C17H30N4O2 — CID 70737725

IUPAC1-[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol
SMILESCc1nn(CCO)cc1CN1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C17H30N4O2/c1-14-15(13-21(18-14)10-11-22)12-19-6-2-16(3-7-19)20-8-4-17(23)5-9-20/h13,16-17,22-23H,2-12H2,1H3
InChIKeyCOUNPNQXONKDLT-UHFFFAOYSA-N
MW322.45 g/mol
LogP0.60
Rot. Bonds5

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

1-[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol (PubChem CID 70737725) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol
PubChem CID70737725
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name1-[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol
SMILESCc1nn(CCO)cc1CN1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C17H30N4O2/c1-14-15(13-21(18-14)10-11-22)12-19-6-2-16(3-7-19)20-8-4-17(23)5-9-20/h13,16-17,22-23H,2-12H2,1H3
InChIKeyCOUNPNQXONKDLT-UHFFFAOYSA-N
XLogP0.60
TPSA64.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol (CID 70737725) is 1-[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol is Cc1nn(CCO)cc1CN1CCC(N2CCC(O)CC2)CC1.
What is the InChIKey of 1-[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol?
The InChIKey is COUNPNQXONKDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-14-15(13-21(18-14)10-11-22)12-19-6-2-16(3-7-19)20-8-4-17(23)5-9-20/h13,16-17,22-23H,2-12H2,1H3.
What are the key properties of 1-[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol?
1-[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol has a molecular weight of 322.45 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 70737725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).