4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol

C14H19N3O2S — CID 56755407

IUPAC4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol
SMILESOCC1(O)CCN(Cc2ccc(-c3ccn[nH]3)s2)CC1
InChIInChI=1S/C14H19N3O2S/c18-10-14(19)4-7-17(8-5-14)9-11-1-2-13(20-11)12-3-6-15-16-12/h1-3,6,18-19H,4-5,7-10H2,(H,15,16)
InChIKeyQKWYEUNZBWRBDZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.46
Rot. Bonds4

About 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol

4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol (PubChem CID 56755407) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol
PubChem CID56755407
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol
SMILESOCC1(O)CCN(Cc2ccc(-c3ccn[nH]3)s2)CC1
InChIInChI=1S/C14H19N3O2S/c18-10-14(19)4-7-17(8-5-14)9-11-1-2-13(20-11)12-3-6-15-16-12/h1-3,6,18-19H,4-5,7-10H2,(H,15,16)
InChIKeyQKWYEUNZBWRBDZ-UHFFFAOYSA-N
XLogP1.46
TPSA72.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol (CID 56755407) is 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol is OCC1(O)CCN(Cc2ccc(-c3ccn[nH]3)s2)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol?
The InChIKey is QKWYEUNZBWRBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-10-14(19)4-7-17(8-5-14)9-11-1-2-13(20-11)12-3-6-15-16-12/h1-3,6,18-19H,4-5,7-10H2,(H,15,16).
What are the key properties of 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol?
4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol has a molecular weight of 293.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 56755407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).