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

C8H15ClNO+ — CID 158518368

IUPAC2-(2-chloroprop-2-enyl)piperidin-1-ium-3-ol
SMILESC=C(Cl)CC1[NH2+]CCCC1O
InChIInChI=1S/C8H14ClNO/c1-6(9)5-7-8(11)3-2-4-10-7/h7-8,10-11H,1-5H2/p+1
InChIKeyHLXFTXCFGFDSCM-UHFFFAOYSA-O
MW176.67 g/mol
LogP0.22
Rot. Bonds2

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

2-(2-chloroprop-2-enyl)piperidin-1-ium-3-ol (PubChem CID 158518368) has the molecular formula C8H15ClNO+ and a molecular weight of 176.67 g/mol. Its IUPAC name is 2-(2-chloroprop-2-enyl)piperidin-1-ium-3-ol.

Molecular Properties

Compound Name2-(2-chloroprop-2-enyl)piperidin-1-ium-3-ol
PubChem CID158518368
Molecular FormulaC8H15ClNO+
Molecular Weight176.67 g/mol
Exact Mass176.08
IUPAC Name2-(2-chloroprop-2-enyl)piperidin-1-ium-3-ol
SMILESC=C(Cl)CC1[NH2+]CCCC1O
InChIInChI=1S/C8H14ClNO/c1-6(9)5-7-8(11)3-2-4-10-7/h7-8,10-11H,1-5H2/p+1
InChIKeyHLXFTXCFGFDSCM-UHFFFAOYSA-O
XLogP0.22
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroprop-2-enyl)piperidin-1-ium-3-ol?
The IUPAC name of 2-(2-chloroprop-2-enyl)piperidin-1-ium-3-ol (CID 158518368) is 2-(2-chloroprop-2-enyl)piperidin-1-ium-3-ol.
What is the SMILES notation for 2-(2-chloroprop-2-enyl)piperidin-1-ium-3-ol?
The canonical SMILES for 2-(2-chloroprop-2-enyl)piperidin-1-ium-3-ol is C=C(Cl)CC1[NH2+]CCCC1O.
What is the InChIKey of 2-(2-chloroprop-2-enyl)piperidin-1-ium-3-ol?
The InChIKey is HLXFTXCFGFDSCM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14ClNO/c1-6(9)5-7-8(11)3-2-4-10-7/h7-8,10-11H,1-5H2/p+1.
What are the key properties of 2-(2-chloroprop-2-enyl)piperidin-1-ium-3-ol?
2-(2-chloroprop-2-enyl)piperidin-1-ium-3-ol has a molecular weight of 176.67 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroprop-2-enyl)piperidin-1-ium-3-ol is sourced from PubChem (CID 158518368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).