1-[2-(cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol

C15H28N2O — CID 95462753

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol
SMILESCNCC1(O)CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-16-13-15(18)8-11-17(12-9-15)10-7-14-5-3-2-4-6-14/h5,16,18H,2-4,6-13H2,1H3
InChIKeyNOQOYVVWUXOAKS-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.92
Rot. Bonds5

About 1-[2-(cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol

1-[2-(cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol (PubChem CID 95462753) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol
PubChem CID95462753
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol
SMILESCNCC1(O)CCN(CCC2=CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-16-13-15(18)8-11-17(12-9-15)10-7-14-5-3-2-4-6-14/h5,16,18H,2-4,6-13H2,1H3
InChIKeyNOQOYVVWUXOAKS-UHFFFAOYSA-N
XLogP1.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(Cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
CID 79359601
4-(Aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol
CID 82292267
4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol
CID 114460113
4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol
CID 114460137
1-[2-(Cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
CID 114493047
3-[[2-(Cyclohexen-1-yl)ethylamino]methyl]pentan-3-ol
CID 115919281
1-(Cyclohex-1-EN-1-ylmethyl)-4-[(dimethylamino)methyl]piperidin-4-OL
CID 129614978
4-{[(1,5-Dimethylhex-4-en-1-yl)amino]methyl}-1-methylpiperidin-4-ol
CID 131903414

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol (CID 95462753) is 1-[2-(cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol is CNCC1(O)CCN(CCC2=CCCCC2)CC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol?
The InChIKey is NOQOYVVWUXOAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-16-13-15(18)8-11-17(12-9-15)10-7-14-5-3-2-4-6-14/h5,16,18H,2-4,6-13H2,1H3.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol?
1-[2-(cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol has a molecular weight of 252.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol is sourced from PubChem (CID 95462753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).