1-(disulfanyl)-4-(1-methylpiperidin-4-yl)piperidine

C11H22N2S2 — CID 170259123

IUPAC1-(disulfanyl)-4-(1-methylpiperidin-4-yl)piperidine
SMILESCN1CCC(C2CCN(SS)CC2)CC1
InChIInChI=1S/C11H22N2S2/c1-12-6-2-10(3-7-12)11-4-8-13(15-14)9-5-11/h10-11,14H,2-9H2,1H3
InChIKeyNBKGXDVJRFCNIL-UHFFFAOYSA-N
MW246.44 g/mol
LogP2.53
Rot. Bonds2

About 1-(disulfanyl)-4-(1-methylpiperidin-4-yl)piperidine

1-(disulfanyl)-4-(1-methylpiperidin-4-yl)piperidine (PubChem CID 170259123) has the molecular formula C11H22N2S2 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1-(disulfanyl)-4-(1-methylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name1-(disulfanyl)-4-(1-methylpiperidin-4-yl)piperidine
PubChem CID170259123
Molecular FormulaC11H22N2S2
Molecular Weight246.44 g/mol
Exact Mass246.12
IUPAC Name1-(disulfanyl)-4-(1-methylpiperidin-4-yl)piperidine
SMILESCN1CCC(C2CCN(SS)CC2)CC1
InChIInChI=1S/C11H22N2S2/c1-12-6-2-10(3-7-12)11-4-8-13(15-14)9-5-11/h10-11,14H,2-9H2,1H3
InChIKeyNBKGXDVJRFCNIL-UHFFFAOYSA-N
XLogP2.53
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(disulfanyl)-4-(1-methylpiperidin-4-yl)piperidine 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

methane;1-methyl-4-(1-methylpiperidin-4-yl)piperidine
CID 158947160
ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane
CID 143899908
4-(1-methylpiperidin-4-yl)cyclohexan-1-ol
CID 58103882
2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 130417829
1-ethyl-4-(1-methylpiperidin-4-yl)piperidine
CID 70910959
ethane;1-methyl-4-(1-propylpiperidin-4-yl)piperidine
CID 156885500
2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 58136033
(4R)-1,4,5-trimethylazepane
CID 89169089
2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine
CID 116962889
5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 162741705
1-(disulfanyl)-4-[4-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]piperidin-1-yl]piperidine
CID 167278686
1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine
CID 146227450

Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)-4-(1-methylpiperidin-4-yl)piperidine?
The IUPAC name of 1-(disulfanyl)-4-(1-methylpiperidin-4-yl)piperidine (CID 170259123) is 1-(disulfanyl)-4-(1-methylpiperidin-4-yl)piperidine.
What is the SMILES notation for 1-(disulfanyl)-4-(1-methylpiperidin-4-yl)piperidine?
The canonical SMILES for 1-(disulfanyl)-4-(1-methylpiperidin-4-yl)piperidine is CN1CCC(C2CCN(SS)CC2)CC1.
What is the InChIKey of 1-(disulfanyl)-4-(1-methylpiperidin-4-yl)piperidine?
The InChIKey is NBKGXDVJRFCNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S2/c1-12-6-2-10(3-7-12)11-4-8-13(15-14)9-5-11/h10-11,14H,2-9H2,1H3.
What are the key properties of 1-(disulfanyl)-4-(1-methylpiperidin-4-yl)piperidine?
1-(disulfanyl)-4-(1-methylpiperidin-4-yl)piperidine has a molecular weight of 246.44 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)-4-(1-methylpiperidin-4-yl)piperidine is sourced from PubChem (CID 170259123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).