4-(4-benzhydrylidenepiperidin-1-yl)-1-thiophen-2-ylbutan-1-ol

C26H29NOS — CID 19937441

IUPAC4-(4-benzhydrylidenepiperidin-1-yl)-1-thiophen-2-ylbutan-1-ol
SMILESOC(CCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C26H29NOS/c28-24(25-14-8-20-29-25)13-7-17-27-18-15-23(16-19-27)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,8-12,14,20,24,28H,7,13,15-19H2
InChIKeyWWVSHCRQDHYCFH-UHFFFAOYSA-N
MW403.59 g/mol
LogP6.16
Rot. Bonds7

About 4-(4-benzhydrylidenepiperidin-1-yl)-1-thiophen-2-ylbutan-1-ol

4-(4-benzhydrylidenepiperidin-1-yl)-1-thiophen-2-ylbutan-1-ol (PubChem CID 19937441) has the molecular formula C26H29NOS and a molecular weight of 403.59 g/mol. Its IUPAC name is 4-(4-benzhydrylidenepiperidin-1-yl)-1-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name4-(4-benzhydrylidenepiperidin-1-yl)-1-thiophen-2-ylbutan-1-ol
PubChem CID19937441
Molecular FormulaC26H29NOS
Molecular Weight403.59 g/mol
Exact Mass403.20
IUPAC Name4-(4-benzhydrylidenepiperidin-1-yl)-1-thiophen-2-ylbutan-1-ol
SMILESOC(CCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C26H29NOS/c28-24(25-14-8-20-29-25)13-7-17-27-18-15-23(16-19-27)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,8-12,14,20,24,28H,7,13,15-19H2
InChIKeyWWVSHCRQDHYCFH-UHFFFAOYSA-N
XLogP6.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.59
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylidenepiperidin-1-yl)-1-thiophen-2-ylbutan-1-ol?
The IUPAC name of 4-(4-benzhydrylidenepiperidin-1-yl)-1-thiophen-2-ylbutan-1-ol (CID 19937441) is 4-(4-benzhydrylidenepiperidin-1-yl)-1-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 4-(4-benzhydrylidenepiperidin-1-yl)-1-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 4-(4-benzhydrylidenepiperidin-1-yl)-1-thiophen-2-ylbutan-1-ol is OC(CCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1)c1cccs1.
What is the InChIKey of 4-(4-benzhydrylidenepiperidin-1-yl)-1-thiophen-2-ylbutan-1-ol?
The InChIKey is WWVSHCRQDHYCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NOS/c28-24(25-14-8-20-29-25)13-7-17-27-18-15-23(16-19-27)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,8-12,14,20,24,28H,7,13,15-19H2.
What are the key properties of 4-(4-benzhydrylidenepiperidin-1-yl)-1-thiophen-2-ylbutan-1-ol?
4-(4-benzhydrylidenepiperidin-1-yl)-1-thiophen-2-ylbutan-1-ol has a molecular weight of 403.59 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylidenepiperidin-1-yl)-1-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 19937441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).