4-(4-piperidin-1-ylbutyl)thiomorpholine

C13H26N2S — CID 173179038

IUPAC4-(4-piperidin-1-ylbutyl)thiomorpholine
SMILESC1CCN(CCCCN2CCSCC2)CC1
InChIInChI=1S/C13H26N2S/c1-2-6-14(7-3-1)8-4-5-9-15-10-12-16-13-11-15/h1-13H2
InChIKeyHYZWWYPKQXRDLO-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.30
Rot. Bonds5

About 4-(4-piperidin-1-ylbutyl)thiomorpholine

4-(4-piperidin-1-ylbutyl)thiomorpholine (PubChem CID 173179038) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylbutyl)thiomorpholine.

Molecular Properties

Compound Name4-(4-piperidin-1-ylbutyl)thiomorpholine
PubChem CID173179038
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name4-(4-piperidin-1-ylbutyl)thiomorpholine
SMILESC1CCN(CCCCN2CCSCC2)CC1
InChIInChI=1S/C13H26N2S/c1-2-6-14(7-3-1)8-4-5-9-15-10-12-16-13-11-15/h1-13H2
InChIKeyHYZWWYPKQXRDLO-UHFFFAOYSA-N
XLogP2.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
N-propan-2-yl-4-thiomorpholin-4-ylbutan-1-amine
CID 60851852
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
1-(4-chlorobutyl)azepane
CID 22568254
N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111809661
ethane;4-(4-methoxybutyl)thiomorpholine
CID 143134021
N-propyl-5-(1,4-thiazepan-4-yl)pentan-1-amine
CID 62412587
3-(1,4-thiazepan-4-yl)propanoic acid
CID 61419192
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821

Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylbutyl)thiomorpholine?
The IUPAC name of 4-(4-piperidin-1-ylbutyl)thiomorpholine (CID 173179038) is 4-(4-piperidin-1-ylbutyl)thiomorpholine.
What is the SMILES notation for 4-(4-piperidin-1-ylbutyl)thiomorpholine?
The canonical SMILES for 4-(4-piperidin-1-ylbutyl)thiomorpholine is C1CCN(CCCCN2CCSCC2)CC1.
What is the InChIKey of 4-(4-piperidin-1-ylbutyl)thiomorpholine?
The InChIKey is HYZWWYPKQXRDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-2-6-14(7-3-1)8-4-5-9-15-10-12-16-13-11-15/h1-13H2.
What are the key properties of 4-(4-piperidin-1-ylbutyl)thiomorpholine?
4-(4-piperidin-1-ylbutyl)thiomorpholine has a molecular weight of 242.43 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylbutyl)thiomorpholine is sourced from PubChem (CID 173179038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).