1-(3-chloropropyl)piperidin-2-ol

C8H16ClNO — CID 53402739

IUPAC1-(3-chloropropyl)piperidin-2-ol
SMILESOC1CCCCN1CCCCl
InChIInChI=1S/C8H16ClNO/c9-5-3-7-10-6-2-1-4-8(10)11/h8,11H,1-7H2
InChIKeyZRKLIGLXSGFEPP-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.42
Rot. Bonds3

About 1-(3-chloropropyl)piperidin-2-ol

1-(3-chloropropyl)piperidin-2-ol (PubChem CID 53402739) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 1-(3-chloropropyl)piperidin-2-ol.

Molecular Properties

Compound Name1-(3-chloropropyl)piperidin-2-ol
PubChem CID53402739
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name1-(3-chloropropyl)piperidin-2-ol
SMILESOC1CCCCN1CCCCl
InChIInChI=1S/C8H16ClNO/c9-5-3-7-10-6-2-1-4-8(10)11/h8,11H,1-7H2
InChIKeyZRKLIGLXSGFEPP-UHFFFAOYSA-N
XLogP1.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloropropyl)piperidin-2-ol?
The IUPAC name of 1-(3-chloropropyl)piperidin-2-ol (CID 53402739) is 1-(3-chloropropyl)piperidin-2-ol.
What is the SMILES notation for 1-(3-chloropropyl)piperidin-2-ol?
The canonical SMILES for 1-(3-chloropropyl)piperidin-2-ol is OC1CCCCN1CCCCl.
What is the InChIKey of 1-(3-chloropropyl)piperidin-2-ol?
The InChIKey is ZRKLIGLXSGFEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c9-5-3-7-10-6-2-1-4-8(10)11/h8,11H,1-7H2.
What are the key properties of 1-(3-chloropropyl)piperidin-2-ol?
1-(3-chloropropyl)piperidin-2-ol has a molecular weight of 177.67 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)piperidin-2-ol is sourced from PubChem (CID 53402739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).