1-(cyclohexylmethyl)-4-methylpiperidine;ethane;prop-2-en-1-ol

C18H37NO — CID 176925507

IUPAC1-(cyclohexylmethyl)-4-methylpiperidine;ethane;prop-2-en-1-ol
SMILESC=CCO.CC.CC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C13H25N.C3H6O.C2H6/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;1-2-3-4;1-2/h12-13H,2-11H2,1H3;2,4H,1,3H2;1-2H3
InChIKeyHGQABWDQGIXVOV-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.49
Rot. Bonds3

About 1-(cyclohexylmethyl)-4-methylpiperidine;ethane;prop-2-en-1-ol

1-(cyclohexylmethyl)-4-methylpiperidine;ethane;prop-2-en-1-ol (PubChem CID 176925507) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-methylpiperidine;ethane;prop-2-en-1-ol.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-methylpiperidine;ethane;prop-2-en-1-ol
PubChem CID176925507
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1-(cyclohexylmethyl)-4-methylpiperidine;ethane;prop-2-en-1-ol
SMILESC=CCO.CC.CC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C13H25N.C3H6O.C2H6/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;1-2-3-4;1-2/h12-13H,2-11H2,1H3;2,4H,1,3H2;1-2H3
InChIKeyHGQABWDQGIXVOV-UHFFFAOYSA-N
XLogP4.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Propan-2-ylpiperidin-1-yl)prop-2-en-1-ol
CID 135134247
1-(Cyclohexylmethyl)piperidine;prop-2-en-1-ol
CID 143571269
1-(Cyclohexylmethyl)piperidine;ethane;ethanol
CID 143571293
1-(4-Methylpiperidin-1-yl)prop-2-en-1-ol
CID 143928892
1-[(3S)-1,3-dimethylpiperidin-1-ium-1-yl]prop-2-en-1-ol
CID 156867604
1-(3-Methylpiperidin-1-yl)prop-2-en-1-ol
CID 166841023

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-methylpiperidine;ethane;prop-2-en-1-ol?
The IUPAC name of 1-(cyclohexylmethyl)-4-methylpiperidine;ethane;prop-2-en-1-ol (CID 176925507) is 1-(cyclohexylmethyl)-4-methylpiperidine;ethane;prop-2-en-1-ol.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-methylpiperidine;ethane;prop-2-en-1-ol?
The canonical SMILES for 1-(cyclohexylmethyl)-4-methylpiperidine;ethane;prop-2-en-1-ol is C=CCO.CC.CC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-methylpiperidine;ethane;prop-2-en-1-ol?
The InChIKey is HGQABWDQGIXVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C3H6O.C2H6/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;1-2-3-4;1-2/h12-13H,2-11H2,1H3;2,4H,1,3H2;1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-4-methylpiperidine;ethane;prop-2-en-1-ol?
1-(cyclohexylmethyl)-4-methylpiperidine;ethane;prop-2-en-1-ol has a molecular weight of 283.50 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-methylpiperidine;ethane;prop-2-en-1-ol is sourced from PubChem (CID 176925507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).