4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine

C15H30N2O3S — CID 70097741

IUPAC4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
SMILESCOC1CCN(S(=O)(=O)CCCCC2CCNCC2)CC1
InChIInChI=1S/C15H30N2O3S/c1-20-15-7-11-17(12-8-15)21(18,19)13-3-2-4-14-5-9-16-10-6-14/h14-16H,2-13H2,1H3
InChIKeyMIGNWPONXWBDHJ-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.60
Rot. Bonds7

About 4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine

4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine (PubChem CID 70097741) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is 4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine.

Molecular Properties

Compound Name4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
PubChem CID70097741
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
SMILESCOC1CCN(S(=O)(=O)CCCCC2CCNCC2)CC1
InChIInChI=1S/C15H30N2O3S/c1-20-15-7-11-17(12-8-15)21(18,19)13-3-2-4-14-5-9-16-10-6-14/h14-16H,2-13H2,1H3
InChIKeyMIGNWPONXWBDHJ-UHFFFAOYSA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine?
The IUPAC name of 4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine (CID 70097741) is 4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine.
What is the SMILES notation for 4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine?
The canonical SMILES for 4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine is COC1CCN(S(=O)(=O)CCCCC2CCNCC2)CC1.
What is the InChIKey of 4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine?
The InChIKey is MIGNWPONXWBDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-20-15-7-11-17(12-8-15)21(18,19)13-3-2-4-14-5-9-16-10-6-14/h14-16H,2-13H2,1H3.
What are the key properties of 4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine?
4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine has a molecular weight of 318.48 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine is sourced from PubChem (CID 70097741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).