2-[1-(3-chloropropyl)piperidin-2-yl]ethanol

C10H20ClNO — CID 18789473

IUPAC2-[1-(3-chloropropyl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCCCl
InChIInChI=1S/C10H20ClNO/c11-6-3-8-12-7-2-1-4-10(12)5-9-13/h10,13H,1-9H2
InChIKeyCCKAKGVEAZBYRN-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.85
Rot. Bonds5

About 2-[1-(3-chloropropyl)piperidin-2-yl]ethanol

2-[1-(3-chloropropyl)piperidin-2-yl]ethanol (PubChem CID 18789473) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-[1-(3-chloropropyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-chloropropyl)piperidin-2-yl]ethanol
PubChem CID18789473
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-[1-(3-chloropropyl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCCCl
InChIInChI=1S/C10H20ClNO/c11-6-3-8-12-7-2-1-4-10(12)5-9-13/h10,13H,1-9H2
InChIKeyCCKAKGVEAZBYRN-UHFFFAOYSA-N
XLogP1.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.85
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 2-[1-(3-chloropropyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(3-chloropropyl)piperidin-2-yl]ethanol (CID 18789473) is 2-[1-(3-chloropropyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(3-chloropropyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(3-chloropropyl)piperidin-2-yl]ethanol is OCCC1CCCCN1CCCCl.
What is the InChIKey of 2-[1-(3-chloropropyl)piperidin-2-yl]ethanol?
The InChIKey is CCKAKGVEAZBYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c11-6-3-8-12-7-2-1-4-10(12)5-9-13/h10,13H,1-9H2.
What are the key properties of 2-[1-(3-chloropropyl)piperidin-2-yl]ethanol?
2-[1-(3-chloropropyl)piperidin-2-yl]ethanol has a molecular weight of 205.73 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloropropyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 18789473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).