1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen

C15H26N2O — CID 142939394

IUPAC1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen
SMILESCNC1CCN(C2=CCC(C)=C(OC)C=C2)CC1.[H][H]
InChIInChI=1S/C15H24N2O.H2/c1-12-4-5-14(6-7-15(12)18-3)17-10-8-13(16-2)9-11-17;/h5-7,13,16H,4,8-11H2,1-3H3;1H
InChIKeyLXKFPLAKWDWBKK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.68
Rot. Bonds3

About 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen

1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen (PubChem CID 142939394) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Name1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen
PubChem CID142939394
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen
SMILESCNC1CCN(C2=CCC(C)=C(OC)C=C2)CC1.[H][H]
InChIInChI=1S/C15H24N2O.H2/c1-12-4-5-14(6-7-15(12)18-3)17-10-8-13(16-2)9-11-17;/h5-7,13,16H,4,8-11H2,1-3H3;1H
InChIKeyLXKFPLAKWDWBKK-UHFFFAOYSA-N
XLogP2.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8,9-dimethoxy-2-methyl-3,4,4a,5-tetrahydro-1H-benzo[c][1,6]naphthyridine
CID 88060702
6-[(1E,3E)-1-amino-4-methoxyhexa-1,3,5-trien-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 89085387
5-Methoxy-6-piperidin-4-yl-1,2-dihydropyridine
CID 118610408
1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine
CID 129045607
1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine
CID 135293155
10-methoxy-N,2-dimethyl-2-azabicyclo[5.5.0]dodeca-1(7),9,11-trien-6-amine
CID 141782211
1-[1-(3-Methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine
CID 142939410
1-(4-amino-3-methoxycyclohepta-1,3,6-trien-1-yl)-N-methoxy-N-methylpiperidin-4-amine;methane
CID 142939412
1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine
CID 143623116
1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
CID 143829328
4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
CID 143832123
1-(5-methoxycyclohepta-1,3,4,6-tetraen-1-yl)-N-[(2-piperidin-1-ylcyclohepta-1,4,6-trien-1-yl)methyl]methanamine;2-methylpropane
CID 143863825

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen?
The IUPAC name of 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen (CID 142939394) is 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen.
What is the SMILES notation for 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen?
The canonical SMILES for 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen is CNC1CCN(C2=CCC(C)=C(OC)C=C2)CC1.[H][H].
What is the InChIKey of 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen?
The InChIKey is LXKFPLAKWDWBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.H2/c1-12-4-5-14(6-7-15(12)18-3)17-10-8-13(16-2)9-11-17;/h5-7,13,16H,4,8-11H2,1-3H3;1H.
What are the key properties of 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen?
1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen has a molecular weight of 250.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen is sourced from PubChem (CID 142939394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).