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

C22H25F2N3 — CID 144929164

IUPACN-[3-[5-(3,5-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\C(=C)NC1CCN(C)CC1)c1cc(-c2cc(F)cc(F)c2)ccc1C
InChIInChI=1S/C22H25F2N3/c1-14-4-5-16(17-10-18(23)13-19(24)11-17)12-21(14)22(25)15(2)26-20-6-8-27(3)9-7-20/h4-5,10-13,20,25-26H,2,6-9H2,1,3H3/b25-22+
InChIKeyBUYGGBXXOQKTNQ-YYDJUVGSSA-N
MW369.46 g/mol
LogP4.51
Rot. Bonds5

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

N-[3-[5-(3,5-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine (PubChem CID 144929164) has the molecular formula C22H25F2N3 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[3-[5-(3,5-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-[5-(3,5-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine
PubChem CID144929164
Molecular FormulaC22H25F2N3
Molecular Weight369.46 g/mol
Exact Mass369.20
IUPAC NameN-[3-[5-(3,5-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\C(=C)NC1CCN(C)CC1)c1cc(-c2cc(F)cc(F)c2)ccc1C
InChIInChI=1S/C22H25F2N3/c1-14-4-5-16(17-10-18(23)13-19(24)11-17)12-21(14)22(25)15(2)26-20-6-8-27(3)9-7-20/h4-5,10-13,20,25-26H,2,6-9H2,1,3H3/b25-22+
InChIKeyBUYGGBXXOQKTNQ-YYDJUVGSSA-N
XLogP4.51
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3,5-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[3-[5-(3,5-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine (CID 144929164) is N-[3-[5-(3,5-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[3-[5-(3,5-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[3-[5-(3,5-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine is [H]/N=C(\C(=C)NC1CCN(C)CC1)c1cc(-c2cc(F)cc(F)c2)ccc1C.
What is the InChIKey of N-[3-[5-(3,5-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine?
The InChIKey is BUYGGBXXOQKTNQ-YYDJUVGSSA-N. The full InChI is InChI=1S/C22H25F2N3/c1-14-4-5-16(17-10-18(23)13-19(24)11-17)12-21(14)22(25)15(2)26-20-6-8-27(3)9-7-20/h4-5,10-13,20,25-26H,2,6-9H2,1,3H3/b25-22+.
What are the key properties of N-[3-[5-(3,5-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine?
N-[3-[5-(3,5-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine has a molecular weight of 369.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3,5-difluorophenyl)-2-methylphenyl]-3-iminoprop-1-en-2-yl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 144929164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).