1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine

C20H32FN3O — CID 67344064

IUPAC1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine
SMILESCCOC1CCC(C)(N2CCC(Nc3cccc(F)c3N)CC2)CC1
InChIInChI=1S/C20H32FN3O/c1-3-25-16-7-11-20(2,12-8-16)24-13-9-15(10-14-24)23-18-6-4-5-17(21)19(18)22/h4-6,15-16,23H,3,7-14,22H2,1-2H3
InChIKeyRIGHLUSHAIGXGN-UHFFFAOYSA-N
MW349.49 g/mol
LogP4.02
Rot. Bonds5

About 1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine

1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine (PubChem CID 67344064) has the molecular formula C20H32FN3O and a molecular weight of 349.49 g/mol. Its IUPAC name is 1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine
PubChem CID67344064
Molecular FormulaC20H32FN3O
Molecular Weight349.49 g/mol
Exact Mass349.25
IUPAC Name1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine
SMILESCCOC1CCC(C)(N2CCC(Nc3cccc(F)c3N)CC2)CC1
InChIInChI=1S/C20H32FN3O/c1-3-25-16-7-11-20(2,12-8-16)24-13-9-15(10-14-24)23-18-6-4-5-17(21)19(18)22/h4-6,15-16,23H,3,7-14,22H2,1-2H3
InChIKeyRIGHLUSHAIGXGN-UHFFFAOYSA-N
XLogP4.02
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Fluoro-1,3-dihydro-1-[1-(trans-4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-2H-benzo[d]imidazol-2-one
CID 24754042
3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-fluoro-1H-benzimidazol-2-one
CID 24754043
6-Fluoro-1,3-dihydro-1-[1-(trans-4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-2H-benzo[d]imidazol-2-one
CID 24781449
N-benzyl-N'-(2,2-dimethyloxan-4-yl)-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 57410012
3-fluoro-1-N-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]-5-methylbenzene-1,2-diamine
CID 58409106
1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluoro-5-methylbenzene-1,2-diamine
CID 58409112
3-fluoro-5-methyl-1-N-[1-(1-methyl-4-propoxycyclohexyl)piperidin-4-yl]benzene-1,2-diamine
CID 58409115
1-(4-ethoxy-1-methylcyclohexyl)-N-(3-fluoro-5-methyl-2-nitrophenyl)piperidin-4-amine
CID 58409116
N-(3-fluoro-5-methyl-2-nitrophenyl)-1-(4-methoxy-1-methylcyclohexyl)piperidin-4-amine
CID 58409118
N-(3,5-difluoro-2-nitrophenyl)-1-(4-methoxy-1-methylcyclohexyl)piperidin-4-amine
CID 58409120
N-(3,5-difluoro-2-nitrophenyl)-1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-amine
CID 58409121
3,5-difluoro-1-N-[1-(4-methoxy-1-methylcyclohexyl)piperidin-4-yl]benzene-1,2-diamine
CID 58409123

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine (CID 67344064) is 1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine is CCOC1CCC(C)(N2CCC(Nc3cccc(F)c3N)CC2)CC1.
What is the InChIKey of 1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine?
The InChIKey is RIGHLUSHAIGXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN3O/c1-3-25-16-7-11-20(2,12-8-16)24-13-9-15(10-14-24)23-18-6-4-5-17(21)19(18)22/h4-6,15-16,23H,3,7-14,22H2,1-2H3.
What are the key properties of 1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine?
1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine has a molecular weight of 349.49 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 67344064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).