4-(4-fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine

C14H20FNO — CID 144635932

IUPAC4-(4-fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine
SMILESCOC1(C2=CC=C(F)C=CC2)CCN(C)CC1
InChIInChI=1S/C14H20FNO/c1-16-10-8-14(17-2,9-11-16)12-4-3-5-13(15)7-6-12/h3,5-7H,4,8-11H2,1-2H3
InChIKeyNCJOXNSRTDRDAL-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.84
Rot. Bonds2

About 4-(4-fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine

4-(4-fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine (PubChem CID 144635932) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-(4-fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine.

Molecular Properties

Compound Name4-(4-fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine
PubChem CID144635932
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-(4-fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine
SMILESCOC1(C2=CC=C(F)C=CC2)CCN(C)CC1
InChIInChI=1S/C14H20FNO/c1-16-10-8-14(17-2,9-11-16)12-4-3-5-13(15)7-6-12/h3,5-7H,4,8-11H2,1-2H3
InChIKeyNCJOXNSRTDRDAL-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(6-Fluorocyclohexa-1,5-dien-1-yl)methoxy]-1,4-dimethylpiperidine
CID 144279161
(4E,6E)-N-ethyl-7-fluoro-3-methoxy-N,3-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine
CID 144635931
[4-[(3E)-hexa-3,5-dien-3-yl]-4-methoxypiperidin-1-yl]methanamine
CID 88582833
4-Cyclohepta-1,6-dien-1-yl-4-methoxy-1-methylazepane
CID 134365649
4-Cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol
CID 142096230
ethane;4-methoxy-1-methyl-4-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]piperidine
CID 142861523
4-[(Z)-but-1-enyl]-3,8-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 144244304
4-ethenyl-8-methyl-3-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 144244311
1-(2-Cyclohexa-1,5-dien-1-yl-3-methoxy-3-methylpent-4-enyl)piperidine
CID 144347241
ethane;4-[(5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-methylpiperidine
CID 144662795
ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]-4-methoxy-1-methylpiperidine
CID 144802236
3-ethenyl-8-methyl-4-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 144968736

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine?
The IUPAC name of 4-(4-fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine (CID 144635932) is 4-(4-fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine.
What is the SMILES notation for 4-(4-fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine?
The canonical SMILES for 4-(4-fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine is COC1(C2=CC=C(F)C=CC2)CCN(C)CC1.
What is the InChIKey of 4-(4-fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine?
The InChIKey is NCJOXNSRTDRDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-16-10-8-14(17-2,9-11-16)12-4-3-5-13(15)7-6-12/h3,5-7H,4,8-11H2,1-2H3.
What are the key properties of 4-(4-fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine?
4-(4-fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine has a molecular weight of 237.32 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorocyclohepta-1,3,5-trien-1-yl)-4-methoxy-1-methylpiperidine is sourced from PubChem (CID 144635932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).