2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol

C14H23Cl2NO — CID 104893917

IUPAC2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCCN1CC(Cl)=CCl
InChIInChI=1S/C14H23Cl2NO/c15-9-11(16)10-17-8-4-3-6-13(17)12-5-1-2-7-14(12)18/h9,12-14,18H,1-8,10H2
InChIKeyKFRQWJLCGVUIRA-UHFFFAOYSA-N
MW292.25 g/mol
LogP3.71
Rot. Bonds3

About 2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol

2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol (PubChem CID 104893917) has the molecular formula C14H23Cl2NO and a molecular weight of 292.25 g/mol. Its IUPAC name is 2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol
PubChem CID104893917
Molecular FormulaC14H23Cl2NO
Molecular Weight292.25 g/mol
Exact Mass291.12
IUPAC Name2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCCN1CC(Cl)=CCl
InChIInChI=1S/C14H23Cl2NO/c15-9-11(16)10-17-8-4-3-6-13(17)12-5-1-2-7-14(12)18/h9,12-14,18H,1-8,10H2
InChIKeyKFRQWJLCGVUIRA-UHFFFAOYSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol (CID 104893917) is 2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol is OC1CCCCC1C1CCCCN1CC(Cl)=CCl.
What is the InChIKey of 2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol?
The InChIKey is KFRQWJLCGVUIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Cl2NO/c15-9-11(16)10-17-8-4-3-6-13(17)12-5-1-2-7-14(12)18/h9,12-14,18H,1-8,10H2.
What are the key properties of 2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol?
2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol has a molecular weight of 292.25 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 104893917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).