1-[3-(2-fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine

C14H21FN2O — CID 143061932

IUPAC1-[3-(2-fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine
SMILESCC1=CC=CC(N2CCNCC2)C=C1OCCF
InChIInChI=1S/C14H21FN2O/c1-12-3-2-4-13(11-14(12)18-10-5-15)17-8-6-16-7-9-17/h2-4,11,13,16H,5-10H2,1H3
InChIKeyNVMBKRMTZUHCKL-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.65
Rot. Bonds4

About 1-[3-(2-fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine

1-[3-(2-fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine (PubChem CID 143061932) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[3-(2-fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine.

Molecular Properties

Compound Name1-[3-(2-fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine
PubChem CID143061932
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[3-(2-fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine
SMILESCC1=CC=CC(N2CCNCC2)C=C1OCCF
InChIInChI=1S/C14H21FN2O/c1-12-3-2-4-13(11-14(12)18-10-5-15)17-8-6-16-7-9-17/h2-4,11,13,16H,5-10H2,1H3
InChIKeyNVMBKRMTZUHCKL-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-Fluoroethoxymethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 123659977
1-(2,6-Difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine
CID 139566334
1-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperazine
CID 176700608
(3-Ethoxy-6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone
CID 88850353
1-(3-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 89793124
1-[6-[(Z)-3-methylpent-3-enoxy]cyclohepta-1,4,6-trien-1-yl]piperazine
CID 129046160
3-Methoxycyclohepta-1,3,5-triene;1-methylpiperazine
CID 141775181
1-(5-Methoxycyclohepta-1,4,6-trien-1-yl)piperazine
CID 142202945
Ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 142256489
1-[(1S)-1-(3H-isochromen-6-yl)ethyl]piperazine
CID 156309878
6-Cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine
CID 159958389

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine?
The IUPAC name of 1-[3-(2-fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine (CID 143061932) is 1-[3-(2-fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine.
What is the SMILES notation for 1-[3-(2-fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine?
The canonical SMILES for 1-[3-(2-fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine is CC1=CC=CC(N2CCNCC2)C=C1OCCF.
What is the InChIKey of 1-[3-(2-fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine?
The InChIKey is NVMBKRMTZUHCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-12-3-2-4-13(11-14(12)18-10-5-15)17-8-6-16-7-9-17/h2-4,11,13,16H,5-10H2,1H3.
What are the key properties of 1-[3-(2-fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine?
1-[3-(2-fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine has a molecular weight of 252.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine is sourced from PubChem (CID 143061932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).