1-[2-(disulfanyl)propyl]-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine

C17H34N2OS2 — CID 170250064

IUPAC1-[2-(disulfanyl)propyl]-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine
SMILESCC(C)CN1CCC(OC2CCN(CC(C)SS)CC2)CC1
InChIInChI=1S/C17H34N2OS2/c1-14(2)12-18-8-4-16(5-9-18)20-17-6-10-19(11-7-17)13-15(3)22-21/h14-17,21H,4-13H2,1-3H3
InChIKeyKFWSWWGFEDLDFK-UHFFFAOYSA-N
MW346.61 g/mol
LogP3.55
Rot. Bonds7

About 1-[2-(disulfanyl)propyl]-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine

1-[2-(disulfanyl)propyl]-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine (PubChem CID 170250064) has the molecular formula C17H34N2OS2 and a molecular weight of 346.61 g/mol. Its IUPAC name is 1-[2-(disulfanyl)propyl]-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine.

Molecular Properties

Compound Name1-[2-(disulfanyl)propyl]-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine
PubChem CID170250064
Molecular FormulaC17H34N2OS2
Molecular Weight346.61 g/mol
Exact Mass346.21
IUPAC Name1-[2-(disulfanyl)propyl]-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine
SMILESCC(C)CN1CCC(OC2CCN(CC(C)SS)CC2)CC1
InChIInChI=1S/C17H34N2OS2/c1-14(2)12-18-8-4-16(5-9-18)20-17-6-10-19(11-7-17)13-15(3)22-21/h14-17,21H,4-13H2,1-3H3
InChIKeyKFWSWWGFEDLDFK-UHFFFAOYSA-N
XLogP3.55
TPSA15.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-[2-(disulfanyl)propyl]-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclobutyloxy-1-(2-methylpropyl)piperidine;ethane;methanamine
CID 164567625
5-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]oxypentane-2-thiol
CID 167243371
4-chloro-1-(2-methylpropyl)piperidine
CID 63389166
4-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-(2-methylpropyl)piperidine
CID 166035331
N,N-dimethyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxypropan-1-amine
CID 169214901
4-methoxy-1-(2-methylpropyl)piperidine;2-methylpropylcyclobutane
CID 163401563
1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine
CID 163400543
1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane
CID 163400134
1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine
CID 167191940
N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine
CID 155455465
methane;N-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine
CID 167687218
(1R,5S)-8-[(3,4-difluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octane
CID 155982253

Frequently Asked Questions

What is the IUPAC name of 1-[2-(disulfanyl)propyl]-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine?
The IUPAC name of 1-[2-(disulfanyl)propyl]-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine (CID 170250064) is 1-[2-(disulfanyl)propyl]-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine.
What is the SMILES notation for 1-[2-(disulfanyl)propyl]-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine?
The canonical SMILES for 1-[2-(disulfanyl)propyl]-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine is CC(C)CN1CCC(OC2CCN(CC(C)SS)CC2)CC1.
What is the InChIKey of 1-[2-(disulfanyl)propyl]-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine?
The InChIKey is KFWSWWGFEDLDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2OS2/c1-14(2)12-18-8-4-16(5-9-18)20-17-6-10-19(11-7-17)13-15(3)22-21/h14-17,21H,4-13H2,1-3H3.
What are the key properties of 1-[2-(disulfanyl)propyl]-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine?
1-[2-(disulfanyl)propyl]-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine has a molecular weight of 346.61 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(disulfanyl)propyl]-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine is sourced from PubChem (CID 170250064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).