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

C13H26N2S — CID 54029630

IUPAC4-(4-piperidin-4-ylbutyl)thiomorpholine
SMILESC(CCN1CCSCC1)CC1CCNCC1
InChIInChI=1S/C13H26N2S/c1(3-13-4-6-14-7-5-13)2-8-15-9-11-16-12-10-15/h13-14H,1-12H2
InChIKeyNYCIIZWKHPQDNM-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.21
Rot. Bonds5

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

4-(4-piperidin-4-ylbutyl)thiomorpholine (PubChem CID 54029630) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 4-(4-piperidin-4-ylbutyl)thiomorpholine.

Molecular Properties

Compound Name4-(4-piperidin-4-ylbutyl)thiomorpholine
PubChem CID54029630
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name4-(4-piperidin-4-ylbutyl)thiomorpholine
SMILESC(CCN1CCSCC1)CC1CCNCC1
InChIInChI=1S/C13H26N2S/c1(3-13-4-6-14-7-5-13)2-8-15-9-11-16-12-10-15/h13-14H,1-12H2
InChIKeyNYCIIZWKHPQDNM-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-4-ylbutyl)thiomorpholine?
The IUPAC name of 4-(4-piperidin-4-ylbutyl)thiomorpholine (CID 54029630) is 4-(4-piperidin-4-ylbutyl)thiomorpholine.
What is the SMILES notation for 4-(4-piperidin-4-ylbutyl)thiomorpholine?
The canonical SMILES for 4-(4-piperidin-4-ylbutyl)thiomorpholine is C(CCN1CCSCC1)CC1CCNCC1.
What is the InChIKey of 4-(4-piperidin-4-ylbutyl)thiomorpholine?
The InChIKey is NYCIIZWKHPQDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1(3-13-4-6-14-7-5-13)2-8-15-9-11-16-12-10-15/h13-14H,1-12H2.
What are the key properties of 4-(4-piperidin-4-ylbutyl)thiomorpholine?
4-(4-piperidin-4-ylbutyl)thiomorpholine has a molecular weight of 242.43 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-4-ylbutyl)thiomorpholine is sourced from PubChem (CID 54029630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).