2-(cyclohexen-1-yl)-1-piperidin-2-ylpropan-2-ol

C14H25NO — CID 106651591

IUPAC2-(cyclohexen-1-yl)-1-piperidin-2-ylpropan-2-ol
SMILESCC(O)(CC1CCCCN1)C1=CCCCC1
InChIInChI=1S/C14H25NO/c1-14(16,12-7-3-2-4-8-12)11-13-9-5-6-10-15-13/h7,13,15-16H,2-6,8-11H2,1H3
InChIKeyKSGSBLDDRREFQA-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.77
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-piperidin-2-ylpropan-2-ol

2-(cyclohexen-1-yl)-1-piperidin-2-ylpropan-2-ol (PubChem CID 106651591) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-piperidin-2-ylpropan-2-ol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-piperidin-2-ylpropan-2-ol
PubChem CID106651591
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-(cyclohexen-1-yl)-1-piperidin-2-ylpropan-2-ol
SMILESCC(O)(CC1CCCCN1)C1=CCCCC1
InChIInChI=1S/C14H25NO/c1-14(16,12-7-3-2-4-8-12)11-13-9-5-6-10-15-13/h7,13,15-16H,2-6,8-11H2,1H3
InChIKeyKSGSBLDDRREFQA-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-piperidin-2-ylpropan-2-ol?
The IUPAC name of 2-(cyclohexen-1-yl)-1-piperidin-2-ylpropan-2-ol (CID 106651591) is 2-(cyclohexen-1-yl)-1-piperidin-2-ylpropan-2-ol.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-piperidin-2-ylpropan-2-ol?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-piperidin-2-ylpropan-2-ol is CC(O)(CC1CCCCN1)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-piperidin-2-ylpropan-2-ol?
The InChIKey is KSGSBLDDRREFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-14(16,12-7-3-2-4-8-12)11-13-9-5-6-10-15-13/h7,13,15-16H,2-6,8-11H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-piperidin-2-ylpropan-2-ol?
2-(cyclohexen-1-yl)-1-piperidin-2-ylpropan-2-ol has a molecular weight of 223.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-piperidin-2-ylpropan-2-ol is sourced from PubChem (CID 106651591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).