1-[1-(3-methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine

C16H24N2O — CID 142939410

IUPAC1-[1-(3-methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine
SMILESC=C(N)C1CCCN(C2=CC(OC)=C(C)CC=C2)C1
InChIInChI=1S/C16H24N2O/c1-12-6-4-8-15(10-16(12)19-3)18-9-5-7-14(11-18)13(2)17/h4,8,10,14H,2,5-7,9,11,17H2,1,3H3
InChIKeySIYFXCRIHICKAQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.93
Rot. Bonds3

About 1-[1-(3-methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine

1-[1-(3-methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine (PubChem CID 142939410) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[1-(3-methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine.

Molecular Properties

Compound Name1-[1-(3-methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine
PubChem CID142939410
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[1-(3-methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine
SMILESC=C(N)C1CCCN(C2=CC(OC)=C(C)CC=C2)C1
InChIInChI=1S/C16H24N2O/c1-12-6-4-8-15(10-16(12)19-3)18-9-5-7-14(11-18)13(2)17/h4,8,10,14H,2,5-7,9,11,17H2,1,3H3
InChIKeySIYFXCRIHICKAQ-UHFFFAOYSA-N
XLogP2.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methoxy-6-piperidin-4-yl-1,2-dihydropyridine
CID 118610408
1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine;molecular hydrogen
CID 142939394
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
4-(8-methoxy-5,6-dimethyl-2,5,5a,9a-tetrahydro-1H-2-benzazepin-3-yl)piperidin-4-amine
CID 143811910
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
8-methoxy-1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-amine
CID 154207607
1-[(3E)-2-methoxy-5-methylideneocta-1,3-dien-4-yl]-N,N-dimethylpiperidin-4-amine
CID 165394533
N-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine
CID 170638851
1-(5-methoxy-4-methylcyclohepta-1,4,6-trien-1-yl)-N-methylpiperidin-4-amine
CID 142939395
2-[(4-Methoxycyclohepta-1,3,5-trien-1-yl)methyl]-1-methylidene-2,8-diazaspiro[4.5]decane
CID 143012993
1-[(4Z,6E)-6-methoxy-3-methylnona-4,6-dien-2-yl]-N-methylpiperidin-4-amine
CID 143623493

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine?
The IUPAC name of 1-[1-(3-methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine (CID 142939410) is 1-[1-(3-methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine.
What is the SMILES notation for 1-[1-(3-methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine?
The canonical SMILES for 1-[1-(3-methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine is C=C(N)C1CCCN(C2=CC(OC)=C(C)CC=C2)C1.
What is the InChIKey of 1-[1-(3-methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine?
The InChIKey is SIYFXCRIHICKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-6-4-8-15(10-16(12)19-3)18-9-5-7-14(11-18)13(2)17/h4,8,10,14H,2,5-7,9,11,17H2,1,3H3.
What are the key properties of 1-[1-(3-methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine?
1-[1-(3-methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine has a molecular weight of 260.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxy-4-methylcyclohepta-1,3,6-trien-1-yl)piperidin-3-yl]ethenamine is sourced from PubChem (CID 142939410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).