4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine

C13H27NS2 — CID 156821255

IUPAC4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine
SMILESCCCSSCCN1CCC(CCC)CC1
InChIInChI=1S/C13H27NS2/c1-3-5-13-6-8-14(9-7-13)10-12-16-15-11-4-2/h13H,3-12H2,1-2H3
InChIKeyDQISFTFSYOBFNY-UHFFFAOYSA-N
MW261.50 g/mol
LogP4.29
Rot. Bonds8

About 4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine

4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine (PubChem CID 156821255) has the molecular formula C13H27NS2 and a molecular weight of 261.50 g/mol. Its IUPAC name is 4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine.

Molecular Properties

Compound Name4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine
PubChem CID156821255
Molecular FormulaC13H27NS2
Molecular Weight261.50 g/mol
Exact Mass261.16
IUPAC Name4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine
SMILESCCCSSCCN1CCC(CCC)CC1
InChIInChI=1S/C13H27NS2/c1-3-5-13-6-8-14(9-7-13)10-12-16-15-11-4-2/h13H,3-12H2,1-2H3
InChIKeyDQISFTFSYOBFNY-UHFFFAOYSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine
CID 167168209
1-(2-bromoethyl)-4-propylpiperidine
CID 62206641
1-[2-(4-propylpiperidin-1-yl)ethyl]piperidin-4-amine
CID 79327456
4-[3-[7-(2-octylcyclopropyl)heptyl]dodecyl]-1-[2-[2-[4-[3-[7-(2-octylcyclopropyl)heptyl]dodecyl]piperidin-1-yl]ethyldisulfanyl]ethyl]piperidine
CID 166036910
benzene;ethane;1-ethyl-4-propylpiperidine
CID 90839666
1-(methoxymethyl)-4-propylpiperidine
CID 18738071
3-(4-propylpiperidin-1-yl)propane-1-sulfinate
CID 174406890
2-methyl-N-[2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 62437822
4-methyl-N-[2-(4-propylpiperidin-1-yl)ethyl]cyclohexan-1-amine
CID 63503899
2-[2-(4-propylpiperidin-1-yl)ethyl]cyclopentan-1-ol
CID 79563875
N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide
CID 76937108
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
CID 62205780

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine?
The IUPAC name of 4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine (CID 156821255) is 4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine.
What is the SMILES notation for 4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine?
The canonical SMILES for 4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine is CCCSSCCN1CCC(CCC)CC1.
What is the InChIKey of 4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine?
The InChIKey is DQISFTFSYOBFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS2/c1-3-5-13-6-8-14(9-7-13)10-12-16-15-11-4-2/h13H,3-12H2,1-2H3.
What are the key properties of 4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine?
4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine has a molecular weight of 261.50 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine is sourced from PubChem (CID 156821255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).