1-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-3-methylpiperidine

C18H28N2O2S — CID 146292818

IUPAC1-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-3-methylpiperidine
SMILESCOc1ccc(S(=O)N2CCC(N3CCCC(C)C3)CC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-15-4-3-11-19(14-15)16-9-12-20(13-10-16)23(21)18-7-5-17(22-2)6-8-18/h5-8,15-16H,3-4,9-14H2,1-2H3
InChIKeyOHAUNSJZHTVQCW-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.91
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-3-methylpiperidine

1-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-3-methylpiperidine (PubChem CID 146292818) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-3-methylpiperidine
PubChem CID146292818
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name1-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-3-methylpiperidine
SMILESCOc1ccc(S(=O)N2CCC(N3CCCC(C)C3)CC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-15-4-3-11-19(14-15)16-9-12-20(13-10-16)23(21)18-7-5-17(22-2)6-8-18/h5-8,15-16H,3-4,9-14H2,1-2H3
InChIKeyOHAUNSJZHTVQCW-UHFFFAOYSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-3-methylpiperidine 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 1-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-3-methylpiperidine?
The IUPAC name of 1-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-3-methylpiperidine (CID 146292818) is 1-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-3-methylpiperidine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-3-methylpiperidine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-3-methylpiperidine is COc1ccc(S(=O)N2CCC(N3CCCC(C)C3)CC2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-3-methylpiperidine?
The InChIKey is OHAUNSJZHTVQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-15-4-3-11-19(14-15)16-9-12-20(13-10-16)23(21)18-7-5-17(22-2)6-8-18/h5-8,15-16H,3-4,9-14H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-3-methylpiperidine?
1-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-3-methylpiperidine has a molecular weight of 336.50 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)sulfinylpiperidin-4-yl]-3-methylpiperidine is sourced from PubChem (CID 146292818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).