1-(5,6-dihydro-1,3-benzodioxol-4-yl)-N-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]methanamine

C21H29N3O2 — CID 170129427

IUPAC1-(5,6-dihydro-1,3-benzodioxol-4-yl)-N-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]methanamine
SMILESCC1(C)CCN(c2cc(CNCC3=C4OCOC4=CCC3)ccn2)CC1
InChIInChI=1S/C21H29N3O2/c1-21(2)7-10-24(11-8-21)19-12-16(6-9-23-19)13-22-14-17-4-3-5-18-20(17)26-15-25-18/h5-6,9,12,22H,3-4,7-8,10-11,13-15H2,1-2H3
InChIKeyFHANTFVSZQRQSM-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.73
Rot. Bonds5

About 1-(5,6-dihydro-1,3-benzodioxol-4-yl)-N-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]methanamine

1-(5,6-dihydro-1,3-benzodioxol-4-yl)-N-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]methanamine (PubChem CID 170129427) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-(5,6-dihydro-1,3-benzodioxol-4-yl)-N-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-1,3-benzodioxol-4-yl)-N-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]methanamine
PubChem CID170129427
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-(5,6-dihydro-1,3-benzodioxol-4-yl)-N-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]methanamine
SMILESCC1(C)CCN(c2cc(CNCC3=C4OCOC4=CCC3)ccn2)CC1
InChIInChI=1S/C21H29N3O2/c1-21(2)7-10-24(11-8-21)19-12-16(6-9-23-19)13-22-14-17-4-3-5-18-20(17)26-15-25-18/h5-6,9,12,22H,3-4,7-8,10-11,13-15H2,1-2H3
InChIKeyFHANTFVSZQRQSM-UHFFFAOYSA-N
XLogP3.73
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5,6-dihydro-1,3-benzodioxol-4-yl)-N-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]methanamine with MolForge

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Related Compounds

[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 62937884
N-[[2-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
CID 62932701
1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine
CID 163367035
N-[[2-(2,2-dimethylmorpholin-4-yl)-4-pyridinyl]methyl]ethanamine
CID 62282782
N-(1,3-benzodioxol-4-ylmethyl)-1-[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 163366697
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 60776851
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-4-pyridinyl)methanamine
CID 38048783
1-(3,4-dimethoxyphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]methanamine
CID 38048685
N-[[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114460738
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
1-[4-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63169357

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-1,3-benzodioxol-4-yl)-N-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]methanamine?
The IUPAC name of 1-(5,6-dihydro-1,3-benzodioxol-4-yl)-N-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]methanamine (CID 170129427) is 1-(5,6-dihydro-1,3-benzodioxol-4-yl)-N-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-(5,6-dihydro-1,3-benzodioxol-4-yl)-N-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-(5,6-dihydro-1,3-benzodioxol-4-yl)-N-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]methanamine is CC1(C)CCN(c2cc(CNCC3=C4OCOC4=CCC3)ccn2)CC1.
What is the InChIKey of 1-(5,6-dihydro-1,3-benzodioxol-4-yl)-N-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]methanamine?
The InChIKey is FHANTFVSZQRQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-21(2)7-10-24(11-8-21)19-12-16(6-9-23-19)13-22-14-17-4-3-5-18-20(17)26-15-25-18/h5-6,9,12,22H,3-4,7-8,10-11,13-15H2,1-2H3.
What are the key properties of 1-(5,6-dihydro-1,3-benzodioxol-4-yl)-N-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]methanamine?
1-(5,6-dihydro-1,3-benzodioxol-4-yl)-N-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]methanamine has a molecular weight of 355.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-1,3-benzodioxol-4-yl)-N-[[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]methanamine is sourced from PubChem (CID 170129427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).