3-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-4-fluorobenzene-1,2-diamine

C19H30FN3O — CID 66741764

IUPAC3-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-4-fluorobenzene-1,2-diamine
SMILESCCOC1CCC(N2CCC(c3c(F)ccc(N)c3N)CC2)CC1
InChIInChI=1S/C19H30FN3O/c1-2-24-15-5-3-14(4-6-15)23-11-9-13(10-12-23)18-16(20)7-8-17(21)19(18)22/h7-8,13-15H,2-6,9-12,21-22H2,1H3
InChIKeyIZPVIIKUUJZPOZ-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.52
Rot. Bonds4

About 3-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-4-fluorobenzene-1,2-diamine

3-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-4-fluorobenzene-1,2-diamine (PubChem CID 66741764) has the molecular formula C19H30FN3O and a molecular weight of 335.47 g/mol. Its IUPAC name is 3-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name3-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-4-fluorobenzene-1,2-diamine
PubChem CID66741764
Molecular FormulaC19H30FN3O
Molecular Weight335.47 g/mol
Exact Mass335.24
IUPAC Name3-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-4-fluorobenzene-1,2-diamine
SMILESCCOC1CCC(N2CCC(c3c(F)ccc(N)c3N)CC2)CC1
InChIInChI=1S/C19H30FN3O/c1-2-24-15-5-3-14(4-6-15)23-11-9-13(10-12-23)18-16(20)7-8-17(21)19(18)22/h7-8,13-15H,2-6,9-12,21-22H2,1H3
InChIKeyIZPVIIKUUJZPOZ-UHFFFAOYSA-N
XLogP3.52
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-4-fluorobenzene-1,2-diamine?
The IUPAC name of 3-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-4-fluorobenzene-1,2-diamine (CID 66741764) is 3-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 3-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 3-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-4-fluorobenzene-1,2-diamine is CCOC1CCC(N2CCC(c3c(F)ccc(N)c3N)CC2)CC1.
What is the InChIKey of 3-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-4-fluorobenzene-1,2-diamine?
The InChIKey is IZPVIIKUUJZPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O/c1-2-24-15-5-3-14(4-6-15)23-11-9-13(10-12-23)18-16(20)7-8-17(21)19(18)22/h7-8,13-15H,2-6,9-12,21-22H2,1H3.
What are the key properties of 3-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-4-fluorobenzene-1,2-diamine?
3-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-4-fluorobenzene-1,2-diamine has a molecular weight of 335.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 66741764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).