1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium

C15H24N3OY- — CID 155709754

IUPAC1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium
SMILESCOCC1CN(c2cc[c-]cc2CN(C)C)CCN1.[Y]
InChIInChI=1S/C15H24N3O.Y/c1-17(2)10-13-6-4-5-7-15(13)18-9-8-16-14(11-18)12-19-3;/h5-7,14,16H,8-12H2,1-3H3;/q-1;
InChIKeyNCJRLMHCKOGXEO-UHFFFAOYSA-N
MW351.28 g/mol
LogP0.97
Rot. Bonds5

About 1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium

1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium (PubChem CID 155709754) has the molecular formula C15H24N3OY- and a molecular weight of 351.28 g/mol. Its IUPAC name is 1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium.

Molecular Properties

Compound Name1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium
PubChem CID155709754
Molecular FormulaC15H24N3OY-
Molecular Weight351.28 g/mol
Exact Mass351.10
IUPAC Name1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium
SMILESCOCC1CN(c2cc[c-]cc2CN(C)C)CCN1.[Y]
InChIInChI=1S/C15H24N3O.Y/c1-17(2)10-13-6-4-5-7-15(13)18-9-8-16-14(11-18)12-19-3;/h5-7,14,16H,8-12H2,1-3H3;/q-1;
InChIKeyNCJRLMHCKOGXEO-UHFFFAOYSA-N
XLogP0.97
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-[(3Z,5Z)-3-fluoro-5-(piperazin-1-ylmethyl)hepta-1,3,5-trien-4-yl]morpholine
CID 155070839
N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine
CID 70333386
N-methyl-1-(4-morpholin-4-ylcyclohexa-1,5-dien-1-yl)methanamine
CID 117901022
(3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine
CID 118146494
1-(1-Butan-2-yl-5,6-dimethyl-2-pyridinylidene)-2-[4-(2-methoxyethyl)-4-methylpiperazin-4-ium-1-yl]prop-2-en-1-amine
CID 123648617
(2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine
CID 134291689
(Z)-N-ethenyl-4-methyl-2-morpholin-4-ylhex-3-en-3-amine
CID 134340474
(3Z)-3-N-(1-methoxypropan-2-yl)-2-N,2-N,2-trimethylhexa-3,5-diene-2,3-diamine
CID 135181463
(3Z,5Z)-N,4-dimethyl-2-morpholin-4-ylhepta-3,5-dien-3-amine
CID 142300770
ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,2-dihydropyridin-3-amine
CID 142345364
1,5-dimethyl-N-(2-morpholin-4-ylethyl)-2H-pyridin-3-amine;ethane
CID 142345398
2-N-[2-(diethylamino)-2-methoxyethyl]-5-(4-ethyl-2-methylpiperazin-1-yl)-4-methylcyclohepta-1,3,5-triene-1,2-diamine;ethane
CID 142828340

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium?
The IUPAC name of 1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium (CID 155709754) is 1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium.
What is the SMILES notation for 1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium?
The canonical SMILES for 1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium is COCC1CN(c2cc[c-]cc2CN(C)C)CCN1.[Y].
What is the InChIKey of 1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium?
The InChIKey is NCJRLMHCKOGXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N3O.Y/c1-17(2)10-13-6-4-5-7-15(13)18-9-8-16-14(11-18)12-19-3;/h5-7,14,16H,8-12H2,1-3H3;/q-1;.
What are the key properties of 1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium?
1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium has a molecular weight of 351.28 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium is sourced from PubChem (CID 155709754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).