1-(cyclopropylmethyl)-4-[(4-methylsulfonylphenoxy)methyl]piperidine

C17H25NO3S — CID 10041895

IUPAC1-(cyclopropylmethyl)-4-[(4-methylsulfonylphenoxy)methyl]piperidine
SMILESCS(=O)(=O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C17H25NO3S/c1-22(19,20)17-6-4-16(5-7-17)21-13-15-8-10-18(11-9-15)12-14-2-3-14/h4-7,14-15H,2-3,8-13H2,1H3
InChIKeyZAQNWWFJFHEQJS-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.59
Rot. Bonds6

About 1-(cyclopropylmethyl)-4-[(4-methylsulfonylphenoxy)methyl]piperidine

1-(cyclopropylmethyl)-4-[(4-methylsulfonylphenoxy)methyl]piperidine (PubChem CID 10041895) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[(4-methylsulfonylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[(4-methylsulfonylphenoxy)methyl]piperidine
PubChem CID10041895
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name1-(cyclopropylmethyl)-4-[(4-methylsulfonylphenoxy)methyl]piperidine
SMILESCS(=O)(=O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C17H25NO3S/c1-22(19,20)17-6-4-16(5-7-17)21-13-15-8-10-18(11-9-15)12-14-2-3-14/h4-7,14-15H,2-3,8-13H2,1H3
InChIKeyZAQNWWFJFHEQJS-UHFFFAOYSA-N
XLogP2.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[(4-methylsulfonylphenoxy)methyl]piperidine?
The IUPAC name of 1-(cyclopropylmethyl)-4-[(4-methylsulfonylphenoxy)methyl]piperidine (CID 10041895) is 1-(cyclopropylmethyl)-4-[(4-methylsulfonylphenoxy)methyl]piperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[(4-methylsulfonylphenoxy)methyl]piperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[(4-methylsulfonylphenoxy)methyl]piperidine is CS(=O)(=O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[(4-methylsulfonylphenoxy)methyl]piperidine?
The InChIKey is ZAQNWWFJFHEQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-22(19,20)17-6-4-16(5-7-17)21-13-15-8-10-18(11-9-15)12-14-2-3-14/h4-7,14-15H,2-3,8-13H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-[(4-methylsulfonylphenoxy)methyl]piperidine?
1-(cyclopropylmethyl)-4-[(4-methylsulfonylphenoxy)methyl]piperidine has a molecular weight of 323.46 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[(4-methylsulfonylphenoxy)methyl]piperidine is sourced from PubChem (CID 10041895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).