2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol

C10H18ClNO — CID 60596917

IUPAC2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1C/C=C/Cl
InChIInChI=1S/C10H18ClNO/c11-6-3-8-12-7-2-1-4-10(12)5-9-13/h3,6,10,13H,1-2,4-5,7-9H2/b6-3+
InChIKeyFRCUMUXCMVALLG-ZZXKWVIFSA-N
MW203.71 g/mol
LogP1.98
Rot. Bonds4

About 2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol

2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol (PubChem CID 60596917) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol
PubChem CID60596917
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1C/C=C/Cl
InChIInChI=1S/C10H18ClNO/c11-6-3-8-12-7-2-1-4-10(12)5-9-13/h3,6,10,13H,1-2,4-5,7-9H2/b6-3+
InChIKeyFRCUMUXCMVALLG-ZZXKWVIFSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol (CID 60596917) is 2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol is OCCC1CCCCN1C/C=C/Cl.
What is the InChIKey of 2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol?
The InChIKey is FRCUMUXCMVALLG-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H18ClNO/c11-6-3-8-12-7-2-1-4-10(12)5-9-13/h3,6,10,13H,1-2,4-5,7-9H2/b6-3+.
What are the key properties of 2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol?
2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol has a molecular weight of 203.71 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 60596917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).