4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine

C34H32Cl4N2S2 — CID 597030

IUPAC4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine
SMILESClc1ccc(C2CC(SSC3CC(c4ccc(Cl)cc4)NC(c4ccc(Cl)cc4)C3)CC(c3ccc(Cl)cc3)N2)cc1
InChIInChI=1S/C34H32Cl4N2S2/c35-25-9-1-21(2-10-25)31-17-29(18-32(39-31)22-3-11-26(36)12-4-22)41-42-30-19-33(23-5-13-27(37)14-6-23)40-34(20-30)24-7-15-28(38)16-8-24/h1-16,29-34,39-40H,17-20H2
InChIKeyUOWALNDCFHMJKK-UHFFFAOYSA-N
MW674.59 g/mol
LogP11.45
Rot. Bonds7

About 4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine

4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine (PubChem CID 597030) has the molecular formula C34H32Cl4N2S2 and a molecular weight of 674.59 g/mol. Its IUPAC name is 4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine.

Molecular Properties

Compound Name4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine
PubChem CID597030
Molecular FormulaC34H32Cl4N2S2
Molecular Weight674.59 g/mol
Exact Mass672.08
IUPAC Name4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine
SMILESClc1ccc(C2CC(SSC3CC(c4ccc(Cl)cc4)NC(c4ccc(Cl)cc4)C3)CC(c3ccc(Cl)cc3)N2)cc1
InChIInChI=1S/C34H32Cl4N2S2/c35-25-9-1-21(2-10-25)31-17-29(18-32(39-31)22-3-11-26(36)12-4-22)41-42-30-19-33(23-5-13-27(37)14-6-23)40-34(20-30)24-7-15-28(38)16-8-24/h1-16,29-34,39-40H,17-20H2
InChIKeyUOWALNDCFHMJKK-UHFFFAOYSA-N
XLogP11.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.59
LogP ≤ 511.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol
CID 4518766
(4S)-4-(4-chlorophenyl)azetidine-2-thione
CID 102306093
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
3-(4-chlorophenyl)-5-methylmorpholine
CID 57226628
2,4,6,8-tetrakis(4-chlorophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 4050078
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine
CID 39236206
(6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 2097974
3-(4-chlorophenyl)sulfanyl-8-azabicyclo[3.2.1]octane
CID 21186577
6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202226
1-chloro-4-(2-phenylcyclopropyl)benzene
CID 5162571

Frequently Asked Questions

What is the IUPAC name of 4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine?
The IUPAC name of 4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine (CID 597030) is 4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine.
What is the SMILES notation for 4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine?
The canonical SMILES for 4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine is Clc1ccc(C2CC(SSC3CC(c4ccc(Cl)cc4)NC(c4ccc(Cl)cc4)C3)CC(c3ccc(Cl)cc3)N2)cc1.
What is the InChIKey of 4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine?
The InChIKey is UOWALNDCFHMJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Cl4N2S2/c35-25-9-1-21(2-10-25)31-17-29(18-32(39-31)22-3-11-26(36)12-4-22)41-42-30-19-33(23-5-13-27(37)14-6-23)40-34(20-30)24-7-15-28(38)16-8-24/h1-16,29-34,39-40H,17-20H2.
What are the key properties of 4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine?
4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine has a molecular weight of 674.59 g/mol, XLogP of 11.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,6-bis(4-chlorophenyl)piperidin-4-yl]disulfanyl]-2,6-bis(4-chlorophenyl)piperidine is sourced from PubChem (CID 597030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).