1-(2-chloroprop-2-enyl)piperidin-3-ol

C8H14ClNO — CID 60689944

IUPAC1-(2-chloroprop-2-enyl)piperidin-3-ol
SMILESC=C(Cl)CN1CCCC(O)C1
InChIInChI=1S/C8H14ClNO/c1-7(9)5-10-4-2-3-8(11)6-10/h8,11H,1-6H2
InChIKeyOQJMUPDOMPBYAA-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.20
Rot. Bonds2

About 1-(2-chloroprop-2-enyl)piperidin-3-ol

1-(2-chloroprop-2-enyl)piperidin-3-ol (PubChem CID 60689944) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)piperidin-3-ol
PubChem CID60689944
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name1-(2-chloroprop-2-enyl)piperidin-3-ol
SMILESC=C(Cl)CN1CCCC(O)C1
InChIInChI=1S/C8H14ClNO/c1-7(9)5-10-4-2-3-8(11)6-10/h8,11H,1-6H2
InChIKeyOQJMUPDOMPBYAA-UHFFFAOYSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)piperidin-3-ol?
The IUPAC name of 1-(2-chloroprop-2-enyl)piperidin-3-ol (CID 60689944) is 1-(2-chloroprop-2-enyl)piperidin-3-ol.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)piperidin-3-ol?
The canonical SMILES for 1-(2-chloroprop-2-enyl)piperidin-3-ol is C=C(Cl)CN1CCCC(O)C1.
What is the InChIKey of 1-(2-chloroprop-2-enyl)piperidin-3-ol?
The InChIKey is OQJMUPDOMPBYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-7(9)5-10-4-2-3-8(11)6-10/h8,11H,1-6H2.
What are the key properties of 1-(2-chloroprop-2-enyl)piperidin-3-ol?
1-(2-chloroprop-2-enyl)piperidin-3-ol has a molecular weight of 175.66 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)piperidin-3-ol is sourced from PubChem (CID 60689944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).