4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine

C15H30N2S — CID 176984811

IUPAC4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine
SMILESCCC1CCN(SC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C15H30N2S/c1-4-14-5-11-17(12-6-14)18-15-7-9-16(10-8-15)13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyDBNXOLLQMIWKDC-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.63
Rot. Bonds4

About 4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine

4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine (PubChem CID 176984811) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine.

Molecular Properties

Compound Name4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine
PubChem CID176984811
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine
SMILESCCC1CCN(SC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C15H30N2S/c1-4-14-5-11-17(12-6-14)18-15-7-9-16(10-8-15)13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyDBNXOLLQMIWKDC-UHFFFAOYSA-N
XLogP3.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

deca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine
CID 167581175
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
CID 158397131
4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol
CID 163560284
1-(oxan-4-ylsulfanyl)-4-propan-2-ylpiperazine
CID 126759774
ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 176984732
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine
CID 177228245
1,4-di(propan-2-yl)piperidine
CID 21303253
(4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone
CID 167480439
cyclopropyl-imino-oxo-[(1-propan-2-ylpiperidin-4-yl)methyl]-λ6-sulfane
CID 167284371
4-methylsulfanyl-1-propan-2-ylazepane
CID 142624919
4-octyl-1-propan-2-ylpiperidine
CID 167231286

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine?
The IUPAC name of 4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine (CID 176984811) is 4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine.
What is the SMILES notation for 4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine?
The canonical SMILES for 4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine is CCC1CCN(SC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine?
The InChIKey is DBNXOLLQMIWKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-4-14-5-11-17(12-6-14)18-15-7-9-16(10-8-15)13(2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of 4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine?
4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine has a molecular weight of 270.49 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine is sourced from PubChem (CID 176984811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).