ethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol

C19H32FNO — CID 143413380

IUPACethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol
SMILESC=CCF.CC.CC1=CC(CN2CCC(O)CC2)C=CC=C1
InChIInChI=1S/C14H21NO.C3H5F.C2H6/c1-12-4-2-3-5-13(10-12)11-15-8-6-14(16)7-9-15;1-2-3-4;1-2/h2-5,10,13-14,16H,6-9,11H2,1H3;2H,1,3H2;1-2H3
InChIKeyQEADRLVSEQIFLM-UHFFFAOYSA-N
MW309.47 g/mol
LogP4.30
Rot. Bonds3

About ethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol

ethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol (PubChem CID 143413380) has the molecular formula C19H32FNO and a molecular weight of 309.47 g/mol. Its IUPAC name is ethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Nameethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol
PubChem CID143413380
Molecular FormulaC19H32FNO
Molecular Weight309.47 g/mol
Exact Mass309.25
IUPAC Nameethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol
SMILESC=CCF.CC.CC1=CC(CN2CCC(O)CC2)C=CC=C1
InChIInChI=1S/C14H21NO.C3H5F.C2H6/c1-12-4-2-3-5-13(10-12)11-15-8-6-14(16)7-9-15;1-2-3-4;1-2/h2-5,10,13-14,16H,6-9,11H2,1H3;2H,1,3H2;1-2H3
InChIKeyQEADRLVSEQIFLM-UHFFFAOYSA-N
XLogP4.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol with MolForge

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Related Compounds

1-[[4-Methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol
CID 144657257
1-[4-[(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-2-ol
CID 143466122
Ethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol
CID 143099799
1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 143718323
1-[(5E,7E)-5,8-dimethyl-4-methylidenedeca-5,7-dienyl]piperidin-4-ol
CID 144394058
1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol
CID 163860284
1-(4-Methylpent-3-enyl)piperidin-4-ol
CID 121220219
1-(Cyclohepta-1,3-dien-1-ylmethyl)-3,5-dimethylpiperidin-4-ol
CID 143088577
1-[(3-Methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol
CID 143413381
1-[(Z,2E)-2-ethylidenepent-3-enyl]piperidin-4-ol
CID 143491900

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol?
The IUPAC name of ethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol (CID 143413380) is ethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol.
What is the SMILES notation for ethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol?
The canonical SMILES for ethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol is C=CCF.CC.CC1=CC(CN2CCC(O)CC2)C=CC=C1.
What is the InChIKey of ethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol?
The InChIKey is QEADRLVSEQIFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C3H5F.C2H6/c1-12-4-2-3-5-13(10-12)11-15-8-6-14(16)7-9-15;1-2-3-4;1-2/h2-5,10,13-14,16H,6-9,11H2,1H3;2H,1,3H2;1-2H3.
What are the key properties of ethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol?
ethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol has a molecular weight of 309.47 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 143413380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).