1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine

C24H33N3O — CID 131949346

IUPAC1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine
SMILESCOc1ccc(N2CCC(N(C)CC3Cc4ccccc4CN3C)CC2)cc1
InChIInChI=1S/C24H33N3O/c1-25-17-20-7-5-4-6-19(20)16-23(25)18-26(2)21-12-14-27(15-13-21)22-8-10-24(28-3)11-9-22/h4-11,21,23H,12-18H2,1-3H3
InChIKeyGMWRWVSXIACHMO-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.65
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine

1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine (PubChem CID 131949346) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine
PubChem CID131949346
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine
SMILESCOc1ccc(N2CCC(N(C)CC3Cc4ccccc4CN3C)CC2)cc1
InChIInChI=1S/C24H33N3O/c1-25-17-20-7-5-4-6-19(20)16-23(25)18-26(2)21-12-14-27(15-13-21)22-8-10-24(28-3)11-9-22/h4-11,21,23H,12-18H2,1-3H3
InChIKeyGMWRWVSXIACHMO-UHFFFAOYSA-N
XLogP3.65
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine with MolForge

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Related Compounds

2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine
CID 90146772
1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 72921537
(3R)-2-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 140914018
4-N-methyl-4-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 95896880
methyl N-[2-[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]-2-oxoethyl]carbamate
CID 96580861
1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
CID 75375213
1-(4-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 57363410
ethane;(3R)-3-ethyl-2-methyl-3,4-dihydro-1H-isoquinoline;propane
CID 144927592
(3S)-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 90146748
N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-(tetrazol-1-yl)benzamide
CID 95136046
methyl (3R)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 8591025
[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methanol;molecular hydrogen
CID 177039068

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine (CID 131949346) is 1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine is COc1ccc(N2CCC(N(C)CC3Cc4ccccc4CN3C)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine?
The InChIKey is GMWRWVSXIACHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-25-17-20-7-5-4-6-19(20)16-23(25)18-26(2)21-12-14-27(15-13-21)22-8-10-24(28-3)11-9-22/h4-11,21,23H,12-18H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine?
1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine has a molecular weight of 379.55 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 131949346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).