[1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine

C16H25N3O — CID 80504502

IUPAC[1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine
SMILESCOc1ccc2c(c1)C(N1CCN(C)CC1CN)CC2
InChIInChI=1S/C16H25N3O/c1-18-7-8-19(13(10-17)11-18)16-6-4-12-3-5-14(20-2)9-15(12)16/h3,5,9,13,16H,4,6-8,10-11,17H2,1-2H3
InChIKeyQWXVHCJOYRCJNK-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.26
Rot. Bonds3

About [1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine

[1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine (PubChem CID 80504502) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine
PubChem CID80504502
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine
SMILESCOc1ccc2c(c1)C(N1CCN(C)CC1CN)CC2
InChIInChI=1S/C16H25N3O/c1-18-7-8-19(13(10-17)11-18)16-6-4-12-3-5-14(20-2)9-15(12)16/h3,5,9,13,16H,4,6-8,10-11,17H2,1-2H3
InChIKeyQWXVHCJOYRCJNK-UHFFFAOYSA-N
XLogP1.26
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 115316047
N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370220
[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
CID 79248149
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,5-dimethylpiperazine
CID 79374347
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpiperidine
CID 178102694
7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 122468703
(4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169269
[1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylpiperidin-2-yl]methanamine
CID 103440758
2-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine
CID 79234770
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid
CID 79368867
[4-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)morpholin-2-yl]methanamine
CID 114398008
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677859

Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine (CID 80504502) is [1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine is COc1ccc2c(c1)C(N1CCN(C)CC1CN)CC2.
What is the InChIKey of [1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine?
The InChIKey is QWXVHCJOYRCJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18-7-8-19(13(10-17)11-18)16-6-4-12-3-5-14(20-2)9-15(12)16/h3,5,9,13,16H,4,6-8,10-11,17H2,1-2H3.
What are the key properties of [1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine?
[1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine has a molecular weight of 275.40 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80504502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).