4-[hydroxy(diphenyl)methyl]-N-phenylpiperidine-1-carbothioamide

C25H26N2OS — CID 1282172

IUPAC4-[hydroxy(diphenyl)methyl]-N-phenylpiperidine-1-carbothioamide
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccccc2)CC1
InChIInChI=1S/C25H26N2OS/c28-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-16-18-27(19-17-22)24(29)26-23-14-8-3-9-15-23/h1-15,22,28H,16-19H2,(H,26,29)
InChIKeyIYHKOPBJKTUNSD-UHFFFAOYSA-N
MW402.56 g/mol
LogP5.03
Rot. Bonds4

About 4-[hydroxy(diphenyl)methyl]-N-phenylpiperidine-1-carbothioamide

4-[hydroxy(diphenyl)methyl]-N-phenylpiperidine-1-carbothioamide (PubChem CID 1282172) has the molecular formula C25H26N2OS and a molecular weight of 402.56 g/mol. Its IUPAC name is 4-[hydroxy(diphenyl)methyl]-N-phenylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name4-[hydroxy(diphenyl)methyl]-N-phenylpiperidine-1-carbothioamide
PubChem CID1282172
Molecular FormulaC25H26N2OS
Molecular Weight402.56 g/mol
Exact Mass402.18
IUPAC Name4-[hydroxy(diphenyl)methyl]-N-phenylpiperidine-1-carbothioamide
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccccc2)CC1
InChIInChI=1S/C25H26N2OS/c28-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-16-18-27(19-17-22)24(29)26-23-14-8-3-9-15-23/h1-15,22,28H,16-19H2,(H,26,29)
InChIKeyIYHKOPBJKTUNSD-UHFFFAOYSA-N
XLogP5.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.56
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(diphenyl)methyl]-N-phenylpiperidine-1-carbothioamide?
The IUPAC name of 4-[hydroxy(diphenyl)methyl]-N-phenylpiperidine-1-carbothioamide (CID 1282172) is 4-[hydroxy(diphenyl)methyl]-N-phenylpiperidine-1-carbothioamide.
What is the SMILES notation for 4-[hydroxy(diphenyl)methyl]-N-phenylpiperidine-1-carbothioamide?
The canonical SMILES for 4-[hydroxy(diphenyl)methyl]-N-phenylpiperidine-1-carbothioamide is OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccccc2)CC1.
What is the InChIKey of 4-[hydroxy(diphenyl)methyl]-N-phenylpiperidine-1-carbothioamide?
The InChIKey is IYHKOPBJKTUNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2OS/c28-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-16-18-27(19-17-22)24(29)26-23-14-8-3-9-15-23/h1-15,22,28H,16-19H2,(H,26,29).
What are the key properties of 4-[hydroxy(diphenyl)methyl]-N-phenylpiperidine-1-carbothioamide?
4-[hydroxy(diphenyl)methyl]-N-phenylpiperidine-1-carbothioamide has a molecular weight of 402.56 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(diphenyl)methyl]-N-phenylpiperidine-1-carbothioamide is sourced from PubChem (CID 1282172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).