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

C11H20ClNO — CID 114338142

IUPAC1-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1C/C=C/Cl
InChIInChI=1S/C11H20ClNO/c1-10(14)9-11-5-2-3-7-13(11)8-4-6-12/h4,6,10-11,14H,2-3,5,7-9H2,1H3/b6-4+
InChIKeyROQRQFFOCLANHG-GQCTYLIASA-N
MW217.74 g/mol
LogP2.36
Rot. Bonds4

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

1-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]propan-2-ol (PubChem CID 114338142) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 1-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]propan-2-ol
PubChem CID114338142
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name1-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1C/C=C/Cl
InChIInChI=1S/C11H20ClNO/c1-10(14)9-11-5-2-3-7-13(11)8-4-6-12/h4,6,10-11,14H,2-3,5,7-9H2,1H3/b6-4+
InChIKeyROQRQFFOCLANHG-GQCTYLIASA-N
XLogP2.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-Chloro-2-hydroxyundecan-4-yl)-dimethyl-prop-2-enylazanium chloride
CID 174608454
2-[1-(2-Chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 60346184
2-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]ethanol
CID 60596917
2-(1-Prop-2-enylpiperidin-2-yl)ethanol
CID 60690461
[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]methanol
CID 61355740
1-[1-(2-Chloroprop-2-enyl)piperidin-2-yl]propan-1-ol
CID 72004407
2-[1-(3-Chloroprop-2-enyl)piperidin-2-yl]ethanol
CID 76871555
[1-(3-Chloroprop-2-enyl)piperidin-2-yl]methanol
CID 76898311
2-(1-But-2-enylpiperidin-2-yl)ethanol
CID 76932388
8-(3-Chloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 76974881
8-(4-Chlorobut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 77051301
2-[1-(4-Chlorobut-2-enyl)piperidin-2-yl]ethanol
CID 77051792

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]propan-2-ol (CID 114338142) is 1-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]propan-2-ol is CC(O)CC1CCCCN1C/C=C/Cl.
What is the InChIKey of 1-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]propan-2-ol?
The InChIKey is ROQRQFFOCLANHG-GQCTYLIASA-N. The full InChI is InChI=1S/C11H20ClNO/c1-10(14)9-11-5-2-3-7-13(11)8-4-6-12/h4,6,10-11,14H,2-3,5,7-9H2,1H3/b6-4+.
What are the key properties of 1-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]propan-2-ol?
1-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]propan-2-ol has a molecular weight of 217.74 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(E)-3-chloroprop-2-enyl]piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 114338142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).