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

C15H25NO — CID 783454

IUPAC1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-ol
SMILESC=C(C)[C@@H]1CC=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/t14-/m1/s1
InChIKeyJARDXKIBQBFSOC-CQSZACIVSA-N
MW235.37 g/mol
LogP2.75
Rot. Bonds3

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

1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-ol (PubChem CID 783454) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-ol
PubChem CID783454
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-ol
SMILESC=C(C)[C@@H]1CC=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/t14-/m1/s1
InChIKeyJARDXKIBQBFSOC-CQSZACIVSA-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-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-ol (CID 783454) is 1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-ol is C=C(C)[C@@H]1CC=C(CN2CCC(O)CC2)CC1.
What is the InChIKey of 1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-ol?
The InChIKey is JARDXKIBQBFSOC-CQSZACIVSA-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/t14-/m1/s1.
What are the key properties of 1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-ol?
1-[[(4S)-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-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 783454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).