N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine

C22H26FN3 — CID 144928869

IUPACN-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\C(=C)NC1CCN(C)CC1)c1cc(-c2cccc(F)c2)ccc1C
InChIInChI=1S/C22H26FN3/c1-15-7-8-18(17-5-4-6-19(23)13-17)14-21(15)22(24)16(2)25-20-9-11-26(3)12-10-20/h4-8,13-14,20,24-25H,2,9-12H2,1,3H3/b24-22+
InChIKeyDPADCGZZOIJUDC-ZNTNEXAZSA-N
MW351.47 g/mol
LogP4.37
Rot. Bonds5

About N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine

N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine (PubChem CID 144928869) has the molecular formula C22H26FN3 and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine
PubChem CID144928869
Molecular FormulaC22H26FN3
Molecular Weight351.47 g/mol
Exact Mass351.21
IUPAC NameN-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\C(=C)NC1CCN(C)CC1)c1cc(-c2cccc(F)c2)ccc1C
InChIInChI=1S/C22H26FN3/c1-15-7-8-18(17-5-4-6-19(23)13-17)14-21(15)22(24)16(2)25-20-9-11-26(3)12-10-20/h4-8,13-14,20,24-25H,2,9-12H2,1,3H3/b24-22+
InChIKeyDPADCGZZOIJUDC-ZNTNEXAZSA-N
XLogP4.37
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(3-fluorophenyl)phenyl]ethyl]piperidin-4-amine
CID 67173045
2-[[4-Phenyl-2-(trifluoromethyl)phenyl]methylidene]piperidine
CID 67724153
4-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-1H-pyrido[3,4-b]pyrazine
CID 68855582
1-[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanimine
CID 123974219
N-[1-[2-[(2-fluoro-4-methylphenyl)methyl]-4-methylphenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine
CID 126636708
(3E,5E)-N-(1-cycloheptylpropan-2-yl)-5-fluoro-2-(3-fluoro-2,5-dimethylbenzenecarboximidoyl)hepta-1,3,5-trien-4-amine
CID 130340774
2-methyl-5-[(E)-1-[4-[3-[[(2E)-4-(methylamino)penta-2,4-dienyl]amino]propyl]phenyl]-2-phenylhex-1-enyl]benzenecarboximidoyl fluoride
CID 134555732
1-[4-(2-Ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine
CID 138614338
3-[4-(2-fluorophenyl)phenyl]-N-[1-(1-methylpiperidin-4-yl)ethenyl]propan-1-amine
CID 138722009
(3Z)-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylimino-5-(4-methylphenyl)penta-1,3-dien-2-amine
CID 139323702
(1Z)-1-[6-[4-fluoro-2-(4-methylphenyl)phenyl]-1-methylpiperidin-2-ylidene]-N-methylmethanamine
CID 143417110
1-[3-(2-fluoro-4,5-dimethylphenyl)prop-1-en-2-yl]-4-[2-[3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylphenyl]ethyl]piperazine
CID 144372916

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine (CID 144928869) is N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine is [H]/N=C(\C(=C)NC1CCN(C)CC1)c1cc(-c2cccc(F)c2)ccc1C.
What is the InChIKey of N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine?
The InChIKey is DPADCGZZOIJUDC-ZNTNEXAZSA-N. The full InChI is InChI=1S/C22H26FN3/c1-15-7-8-18(17-5-4-6-19(23)13-17)14-21(15)22(24)16(2)25-20-9-11-26(3)12-10-20/h4-8,13-14,20,24-25H,2,9-12H2,1,3H3/b24-22+.
What are the key properties of N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine?
N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine has a molecular weight of 351.47 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-fluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 144928869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).