4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine

C12H24ClNO2S — CID 106838183

IUPAC4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine
SMILESCCCS(=O)(=O)CCN1CCC(C(C)Cl)CC1
InChIInChI=1S/C12H24ClNO2S/c1-3-9-17(15,16)10-8-14-6-4-12(5-7-14)11(2)13/h11-12H,3-10H2,1-2H3
InChIKeyKTAYLPMVJCKNFA-UHFFFAOYSA-N
MW281.85 g/mol
LogP2.15
Rot. Bonds6

About 4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine

4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine (PubChem CID 106838183) has the molecular formula C12H24ClNO2S and a molecular weight of 281.85 g/mol. Its IUPAC name is 4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine.

Molecular Properties

Compound Name4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine
PubChem CID106838183
Molecular FormulaC12H24ClNO2S
Molecular Weight281.85 g/mol
Exact Mass281.12
IUPAC Name4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine
SMILESCCCS(=O)(=O)CCN1CCC(C(C)Cl)CC1
InChIInChI=1S/C12H24ClNO2S/c1-3-9-17(15,16)10-8-14-6-4-12(5-7-14)11(2)13/h11-12H,3-10H2,1-2H3
InChIKeyKTAYLPMVJCKNFA-UHFFFAOYSA-N
XLogP2.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-Piperidyl)pentyl isopentyl sulfone
CID 18965255
3-(1-Piperidyl)propyl isopentyl sulfone
CID 18965292
1-(3-Chloropropylsulfonyl)-4-methylpiperidine
CID 28704619
1-Methyl-4-(methylsulfonylmethyl)piperidine
CID 60002585
1-(2-Ethylsulfonylethyl)-4-methylpiperidine
CID 66695245
1-Ethyl-4-(methylsulfonylmethyl)piperidine
CID 66972483
1-(2-Chloroethyl)-4-(methylsulfonyl)piperidine
CID 68275947
1-Methyl-4-(2-methylsulfonylethyl)piperidine
CID 91525345
4-Methyl-1-(3-methylsulfonylpropyl)piperidine
CID 118534922
1,4-Dimethyl-4-(2-methylpropylsulfonyl)piperidine
CID 134434526
Ethane;1-methyl-4-(methylsulfonylmethyl)piperidine
CID 145006489
4-(3-Methylpentyl)-1,4-thiazinane 1,1-dioxide
CID 163656415

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine?
The IUPAC name of 4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine (CID 106838183) is 4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine.
What is the SMILES notation for 4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine?
The canonical SMILES for 4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine is CCCS(=O)(=O)CCN1CCC(C(C)Cl)CC1.
What is the InChIKey of 4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine?
The InChIKey is KTAYLPMVJCKNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO2S/c1-3-9-17(15,16)10-8-14-6-4-12(5-7-14)11(2)13/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine?
4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine has a molecular weight of 281.85 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine is sourced from PubChem (CID 106838183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).