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

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
CID 806803
4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 45175838
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2984720
(3R)-2-[(4-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211255
2-[(4-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930322
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
(3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane
CID 145118485
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
CID 1333767
(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275474
(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
CID 45214819
(E)-3-(4-methoxyphenyl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 898049
2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 28957064

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).