1-[(5,6-dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine

C15H22N2O2 — CID 142272175

IUPAC1-[(5,6-dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine
SMILESCOC1=C=CC=C(CN2CCN(C)CC2)C=C1OC
InChIInChI=1S/C15H22N2O2/c1-16-7-9-17(10-8-16)12-13-5-4-6-14(18-2)15(11-13)19-3/h4-5,11H,7-10,12H2,1-3H3
InChIKeyMHTDEXGJRFWJOB-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.39
Rot. Bonds4

About 1-[(5,6-dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine

1-[(5,6-dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine (PubChem CID 142272175) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(5,6-dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(5,6-dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine
PubChem CID142272175
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(5,6-dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine
SMILESCOC1=C=CC=C(CN2CCN(C)CC2)C=C1OC
InChIInChI=1S/C15H22N2O2/c1-16-7-9-17(10-8-16)12-13-5-4-6-14(18-2)15(11-13)19-3/h4-5,11H,7-10,12H2,1-3H3
InChIKeyMHTDEXGJRFWJOB-UHFFFAOYSA-N
XLogP1.39
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-Dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine;ethane
CID 142226963
ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
CID 143999016
1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine
CID 155301882
Carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+)
CID 163783016
6,7-Dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine
CID 142226964
6,7-Dimethoxy-2-propyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine
CID 143182454
1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
CID 143999017

Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(5,6-dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine (CID 142272175) is 1-[(5,6-dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(5,6-dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(5,6-dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine is COC1=C=CC=C(CN2CCN(C)CC2)C=C1OC.
What is the InChIKey of 1-[(5,6-dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine?
The InChIKey is MHTDEXGJRFWJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-7-9-17(10-8-16)12-13-5-4-6-14(18-2)15(11-13)19-3/h4-5,11H,7-10,12H2,1-3H3.
What are the key properties of 1-[(5,6-dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine?
1-[(5,6-dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine has a molecular weight of 262.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 142272175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).