1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine

C18H28N2O2S — CID 75872723

IUPAC1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine
SMILESCC1CCCN(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H28N2O2S/c1-16-6-5-11-20(15-16)23(21,22)19-12-9-18(10-13-19)14-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3
InChIKeyUYJIOZZQQUWIEE-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.92
Rot. Bonds4

About 1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine

1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine (PubChem CID 75872723) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine
PubChem CID75872723
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine
SMILESCC1CCCN(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H28N2O2S/c1-16-6-5-11-20(15-16)23(21,22)19-12-9-18(10-13-19)14-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3
InChIKeyUYJIOZZQQUWIEE-UHFFFAOYSA-N
XLogP2.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine (CID 75872723) is 1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine is CC1CCCN(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine?
The InChIKey is UYJIOZZQQUWIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-16-6-5-11-20(15-16)23(21,22)19-12-9-18(10-13-19)14-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine?
1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine has a molecular weight of 336.50 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine is sourced from PubChem (CID 75872723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).