4-piperidin-1-yl-1-propylsulfanylpiperidine

C13H26N2S — CID 123321726

IUPAC4-piperidin-1-yl-1-propylsulfanylpiperidine
SMILESCCCSN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C13H26N2S/c1-2-12-16-15-10-6-13(7-11-15)14-8-4-3-5-9-14/h13H,2-12H2,1H3
InChIKeyDZYWOJKDVPMACI-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.99
Rot. Bonds4

About 4-piperidin-1-yl-1-propylsulfanylpiperidine

4-piperidin-1-yl-1-propylsulfanylpiperidine (PubChem CID 123321726) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-propylsulfanylpiperidine.

Molecular Properties

Compound Name4-piperidin-1-yl-1-propylsulfanylpiperidine
PubChem CID123321726
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name4-piperidin-1-yl-1-propylsulfanylpiperidine
SMILESCCCSN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C13H26N2S/c1-2-12-16-15-10-6-13(7-11-15)14-8-4-3-5-9-14/h13H,2-12H2,1H3
InChIKeyDZYWOJKDVPMACI-UHFFFAOYSA-N
XLogP2.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.99
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

S-[3-(4-piperidin-1-ylpiperidin-1-yl)sulfanylpropyl]thiohydroxylamine
CID 123519516
butane;bis(1-cyclohexylpyrrolidine);dihydrate
CID 175247747
4-propan-2-yl-1-propylsulfanylpiperidine
CID 170610801
ethane;1-methyl-4-piperidin-1-ylpiperidine;propane
CID 143818996
1-cyclopropylpiperidine
CID 10909573
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
1-methanidyl-4-piperidin-1-ylpiperidine
CID 20723188
N-ethyl-N-[(4-piperidin-1-ylpiperidin-1-yl)methyl]ethanamine
CID 59952808
1-cyclohexylpiperidine;methane
CID 143122486
1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one
CID 62044651

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-propylsulfanylpiperidine?
The IUPAC name of 4-piperidin-1-yl-1-propylsulfanylpiperidine (CID 123321726) is 4-piperidin-1-yl-1-propylsulfanylpiperidine.
What is the SMILES notation for 4-piperidin-1-yl-1-propylsulfanylpiperidine?
The canonical SMILES for 4-piperidin-1-yl-1-propylsulfanylpiperidine is CCCSN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 4-piperidin-1-yl-1-propylsulfanylpiperidine?
The InChIKey is DZYWOJKDVPMACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-2-12-16-15-10-6-13(7-11-15)14-8-4-3-5-9-14/h13H,2-12H2,1H3.
What are the key properties of 4-piperidin-1-yl-1-propylsulfanylpiperidine?
4-piperidin-1-yl-1-propylsulfanylpiperidine has a molecular weight of 242.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-propylsulfanylpiperidine is sourced from PubChem (CID 123321726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).