1-(3-chloropropylsulfonyl)-4-methylpiperidin-4-ol

C9H18ClNO3S — CID 81109295

IUPAC1-(3-chloropropylsulfonyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)CCCCl)CC1
InChIInChI=1S/C9H18ClNO3S/c1-9(12)3-6-11(7-4-9)15(13,14)8-2-5-10/h12H,2-8H2,1H3
InChIKeyUNRXNBIBWZAHEM-UHFFFAOYSA-N
MW255.77 g/mol
LogP0.79
Rot. Bonds4

About 1-(3-chloropropylsulfonyl)-4-methylpiperidin-4-ol

1-(3-chloropropylsulfonyl)-4-methylpiperidin-4-ol (PubChem CID 81109295) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 1-(3-chloropropylsulfonyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-chloropropylsulfonyl)-4-methylpiperidin-4-ol
PubChem CID81109295
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name1-(3-chloropropylsulfonyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)CCCCl)CC1
InChIInChI=1S/C9H18ClNO3S/c1-9(12)3-6-11(7-4-9)15(13,14)8-2-5-10/h12H,2-8H2,1H3
InChIKeyUNRXNBIBWZAHEM-UHFFFAOYSA-N
XLogP0.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-[(2S)-2-methylbutyl]sulfonylpiperidin-4-ol
CID 164636611
1-(4-Chlorobutylsulfonyl)-4-(trifluoromethyl)piperidin-4-ol
CID 91650308
1-(3-Chloropropylsulfonyl)piperidin-4-ol
CID 43653952
1-(3-Chloro-2-methylpropyl)sulfonylpiperidin-4-ol
CID 79579788
[1-(3-Chloro-2-methylpropyl)sulfonylpiperidin-4-yl]methanol
CID 79585104
1-Butylsulfonyl-4-methylpiperidin-4-ol
CID 80702008
1-Ethylsulfonyl-4-methylpiperidin-4-ol
CID 80702273
4-Methyl-1-propylsulfonylpiperidin-4-ol
CID 80702274
4-Methyl-1-(3-methylbutylsulfonyl)piperidin-4-ol
CID 81103103
1-Tert-butylsulfonyl-4-methylpiperidin-4-ol
CID 81103199
4-Methyl-1-propan-2-ylsulfonylpiperidin-4-ol
CID 81103506
1-(2,2-Dimethylpropylsulfonyl)-4-methylpiperidin-4-ol
CID 81103700

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropylsulfonyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(3-chloropropylsulfonyl)-4-methylpiperidin-4-ol (CID 81109295) is 1-(3-chloropropylsulfonyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-chloropropylsulfonyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-chloropropylsulfonyl)-4-methylpiperidin-4-ol is CC1(O)CCN(S(=O)(=O)CCCCl)CC1.
What is the InChIKey of 1-(3-chloropropylsulfonyl)-4-methylpiperidin-4-ol?
The InChIKey is UNRXNBIBWZAHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-9(12)3-6-11(7-4-9)15(13,14)8-2-5-10/h12H,2-8H2,1H3.
What are the key properties of 1-(3-chloropropylsulfonyl)-4-methylpiperidin-4-ol?
1-(3-chloropropylsulfonyl)-4-methylpiperidin-4-ol has a molecular weight of 255.77 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropylsulfonyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81109295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).