1-benzhydryl-4-thiophen-2-ylpiperidin-4-ol

C22H23NOS — CID 10315818

IUPAC1-benzhydryl-4-thiophen-2-ylpiperidin-4-ol
SMILESOC1(c2cccs2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H23NOS/c24-22(20-12-7-17-25-20)13-15-23(16-14-22)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21,24H,13-16H2
InChIKeyLBJDYBPTWNSHBS-UHFFFAOYSA-N
MW349.50 g/mol
LogP4.82
Rot. Bonds4

About 1-benzhydryl-4-thiophen-2-ylpiperidin-4-ol

1-benzhydryl-4-thiophen-2-ylpiperidin-4-ol (PubChem CID 10315818) has the molecular formula C22H23NOS and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-benzhydryl-4-thiophen-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-benzhydryl-4-thiophen-2-ylpiperidin-4-ol
PubChem CID10315818
Molecular FormulaC22H23NOS
Molecular Weight349.50 g/mol
Exact Mass349.15
IUPAC Name1-benzhydryl-4-thiophen-2-ylpiperidin-4-ol
SMILESOC1(c2cccs2)CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H23NOS/c24-22(20-12-7-17-25-20)13-15-23(16-14-22)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21,24H,13-16H2
InChIKeyLBJDYBPTWNSHBS-UHFFFAOYSA-N
XLogP4.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-thiophen-2-ylpiperidin-4-ol?
The IUPAC name of 1-benzhydryl-4-thiophen-2-ylpiperidin-4-ol (CID 10315818) is 1-benzhydryl-4-thiophen-2-ylpiperidin-4-ol.
What is the SMILES notation for 1-benzhydryl-4-thiophen-2-ylpiperidin-4-ol?
The canonical SMILES for 1-benzhydryl-4-thiophen-2-ylpiperidin-4-ol is OC1(c2cccs2)CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-thiophen-2-ylpiperidin-4-ol?
The InChIKey is LBJDYBPTWNSHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NOS/c24-22(20-12-7-17-25-20)13-15-23(16-14-22)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21,24H,13-16H2.
What are the key properties of 1-benzhydryl-4-thiophen-2-ylpiperidin-4-ol?
1-benzhydryl-4-thiophen-2-ylpiperidin-4-ol has a molecular weight of 349.50 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-thiophen-2-ylpiperidin-4-ol is sourced from PubChem (CID 10315818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).