1-(2,4,6-triphenylthiopyran-4-yl)piperidine

C28H27NS — CID 71328944

IUPAC1-(2,4,6-triphenylthiopyran-4-yl)piperidine
SMILESC1=C(c2ccccc2)SC(c2ccccc2)=CC1(c1ccccc1)N1CCCCC1
InChIInChI=1S/C28H27NS/c1-5-13-23(14-6-1)26-21-28(25-17-9-3-10-18-25,29-19-11-4-12-20-29)22-27(30-26)24-15-7-2-8-16-24/h1-3,5-10,13-18,21-22H,4,11-12,19-20H2
InChIKeyRKQARNVSJFCNSW-UHFFFAOYSA-N
MW409.60 g/mol
LogP7.20
Rot. Bonds4

About 1-(2,4,6-triphenylthiopyran-4-yl)piperidine

1-(2,4,6-triphenylthiopyran-4-yl)piperidine (PubChem CID 71328944) has the molecular formula C28H27NS and a molecular weight of 409.60 g/mol. Its IUPAC name is 1-(2,4,6-triphenylthiopyran-4-yl)piperidine.

Molecular Properties

Compound Name1-(2,4,6-triphenylthiopyran-4-yl)piperidine
PubChem CID71328944
Molecular FormulaC28H27NS
Molecular Weight409.60 g/mol
Exact Mass409.19
IUPAC Name1-(2,4,6-triphenylthiopyran-4-yl)piperidine
SMILESC1=C(c2ccccc2)SC(c2ccccc2)=CC1(c1ccccc1)N1CCCCC1
InChIInChI=1S/C28H27NS/c1-5-13-23(14-6-1)26-21-28(25-17-9-3-10-18-25,29-19-11-4-12-20-29)22-27(30-26)24-15-7-2-8-16-24/h1-3,5-10,13-18,21-22H,4,11-12,19-20H2
InChIKeyRKQARNVSJFCNSW-UHFFFAOYSA-N
XLogP7.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.60
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-triphenylthiopyran-4-yl)piperidine?
The IUPAC name of 1-(2,4,6-triphenylthiopyran-4-yl)piperidine (CID 71328944) is 1-(2,4,6-triphenylthiopyran-4-yl)piperidine.
What is the SMILES notation for 1-(2,4,6-triphenylthiopyran-4-yl)piperidine?
The canonical SMILES for 1-(2,4,6-triphenylthiopyran-4-yl)piperidine is C1=C(c2ccccc2)SC(c2ccccc2)=CC1(c1ccccc1)N1CCCCC1.
What is the InChIKey of 1-(2,4,6-triphenylthiopyran-4-yl)piperidine?
The InChIKey is RKQARNVSJFCNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NS/c1-5-13-23(14-6-1)26-21-28(25-17-9-3-10-18-25,29-19-11-4-12-20-29)22-27(30-26)24-15-7-2-8-16-24/h1-3,5-10,13-18,21-22H,4,11-12,19-20H2.
What are the key properties of 1-(2,4,6-triphenylthiopyran-4-yl)piperidine?
1-(2,4,6-triphenylthiopyran-4-yl)piperidine has a molecular weight of 409.60 g/mol, XLogP of 7.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-triphenylthiopyran-4-yl)piperidine is sourced from PubChem (CID 71328944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).