[1-(3-chloropropylsulfonyl)piperidin-4-yl]methanol

C9H18ClNO3S — CID 43654411

IUPAC[1-(3-chloropropylsulfonyl)piperidin-4-yl]methanol
SMILESO=S(=O)(CCCCl)N1CCC(CO)CC1
InChIInChI=1S/C9H18ClNO3S/c10-4-1-7-15(13,14)11-5-2-9(8-12)3-6-11/h9,12H,1-8H2
InChIKeyYECHLNRQSUAINA-UHFFFAOYSA-N
MW255.77 g/mol
LogP0.65
Rot. Bonds5

About [1-(3-chloropropylsulfonyl)piperidin-4-yl]methanol

[1-(3-chloropropylsulfonyl)piperidin-4-yl]methanol (PubChem CID 43654411) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is [1-(3-chloropropylsulfonyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloropropylsulfonyl)piperidin-4-yl]methanol
PubChem CID43654411
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name[1-(3-chloropropylsulfonyl)piperidin-4-yl]methanol
SMILESO=S(=O)(CCCCl)N1CCC(CO)CC1
InChIInChI=1S/C9H18ClNO3S/c10-4-1-7-15(13,14)11-5-2-9(8-12)3-6-11/h9,12H,1-8H2
InChIKeyYECHLNRQSUAINA-UHFFFAOYSA-N
XLogP0.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloropropylsulfonyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(3-chloropropylsulfonyl)piperidin-4-yl]methanol (CID 43654411) is [1-(3-chloropropylsulfonyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(3-chloropropylsulfonyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(3-chloropropylsulfonyl)piperidin-4-yl]methanol is O=S(=O)(CCCCl)N1CCC(CO)CC1.
What is the InChIKey of [1-(3-chloropropylsulfonyl)piperidin-4-yl]methanol?
The InChIKey is YECHLNRQSUAINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c10-4-1-7-15(13,14)11-5-2-9(8-12)3-6-11/h9,12H,1-8H2.
What are the key properties of [1-(3-chloropropylsulfonyl)piperidin-4-yl]methanol?
[1-(3-chloropropylsulfonyl)piperidin-4-yl]methanol has a molecular weight of 255.77 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloropropylsulfonyl)piperidin-4-yl]methanol is sourced from PubChem (CID 43654411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).