[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone

C15H21NO4S — CID 56745163

IUPAC[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone
SMILESO=C(c1ccc(C2CCCO2)s1)N1CCC(O)(CO)CC1
InChIInChI=1S/C15H21NO4S/c17-10-15(19)5-7-16(8-6-15)14(18)13-4-3-12(21-13)11-2-1-9-20-11/h3-4,11,17,19H,1-2,5-10H2
InChIKeyIDPZRVIPXXKPKE-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.56
Rot. Bonds3

About [4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone

[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone (PubChem CID 56745163) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is [4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone
PubChem CID56745163
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone
SMILESO=C(c1ccc(C2CCCO2)s1)N1CCC(O)(CO)CC1
InChIInChI=1S/C15H21NO4S/c17-10-15(19)5-7-16(8-6-15)14(18)13-4-3-12(21-13)11-2-1-9-20-11/h3-4,11,17,19H,1-2,5-10H2
InChIKeyIDPZRVIPXXKPKE-UHFFFAOYSA-N
XLogP1.56
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone?
The IUPAC name of [4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone (CID 56745163) is [4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone.
What is the SMILES notation for [4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone?
The canonical SMILES for [4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone is O=C(c1ccc(C2CCCO2)s1)N1CCC(O)(CO)CC1.
What is the InChIKey of [4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone?
The InChIKey is IDPZRVIPXXKPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c17-10-15(19)5-7-16(8-6-15)14(18)13-4-3-12(21-13)11-2-1-9-20-11/h3-4,11,17,19H,1-2,5-10H2.
What are the key properties of [4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone?
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone has a molecular weight of 311.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[5-(oxolan-2-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 56745163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).