1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-ol

C15H25NO — CID 2846086

IUPAC1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-ol
SMILESC=C(C)C1CC=C(CN2CCC(O)CC2)CC1
InChIInChI=1S/C15H25NO/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15(17)8-10-16/h3,14-15,17H,1,4-11H2,2H3
InChIKeyJARDXKIBQBFSOC-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.75
Rot. Bonds3

About 1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-ol

1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-ol (PubChem CID 2846086) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-ol
PubChem CID2846086
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-ol
SMILESC=C(C)C1CC=C(CN2CCC(O)CC2)CC1
InChIInChI=1S/C15H25NO/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15(17)8-10-16/h3,14-15,17H,1,4-11H2,2H3
InChIKeyJARDXKIBQBFSOC-UHFFFAOYSA-N
XLogP2.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
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 1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-ol (CID 2846086) is 1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-ol is C=C(C)C1CC=C(CN2CCC(O)CC2)CC1.
What is the InChIKey of 1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-ol?
The InChIKey is JARDXKIBQBFSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15(17)8-10-16/h3,14-15,17H,1,4-11H2,2H3.
What are the key properties of 1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-ol?
1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-ol has a molecular weight of 235.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 2846086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).