1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine

C22H30N4O2 — CID 52989806

IUPAC1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine
SMILESCOc1ccc(C2NNCC2CNCc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H30N4O2/c1-27-21-8-4-18(5-9-21)22-19(16-24-25-22)15-23-14-17-2-6-20(7-3-17)26-10-12-28-13-11-26/h2-9,19,22-25H,10-16H2,1H3
InChIKeyGBAUUHFHIOTVMD-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.09
Rot. Bonds7

About 1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine

1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine (PubChem CID 52989806) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine
PubChem CID52989806
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine
SMILESCOc1ccc(C2NNCC2CNCc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H30N4O2/c1-27-21-8-4-18(5-9-21)22-19(16-24-25-22)15-23-14-17-2-6-20(7-3-17)26-10-12-28-13-11-26/h2-9,19,22-25H,10-16H2,1H3
InChIKeyGBAUUHFHIOTVMD-UHFFFAOYSA-N
XLogP2.09
TPSA57.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride
CID 75268971
2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine
CID 75266717
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine
CID 52975548
N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594150
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
3-(4-methoxyphenyl)-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111731621
2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927668
4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962307
1-(4-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]methanesulfonamide
CID 16891059
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
N-[(4-methoxyphenyl)methyl]-1-morpholin-2-ylmethanamine
CID 115237605
N-[(4-morpholin-4-ylphenyl)methyl]but-2-yn-1-amine
CID 113342036

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine?
The IUPAC name of 1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine (CID 52989806) is 1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine?
The canonical SMILES for 1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine is COc1ccc(C2NNCC2CNCc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine?
The InChIKey is GBAUUHFHIOTVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-27-21-8-4-18(5-9-21)22-19(16-24-25-22)15-23-14-17-2-6-20(7-3-17)26-10-12-28-13-11-26/h2-9,19,22-25H,10-16H2,1H3.
What are the key properties of 1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine?
1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine has a molecular weight of 382.51 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine is sourced from PubChem (CID 52989806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).