1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-3,5-diene-1,2-diamine

C19H32FN3O — CID 172760850

IUPAC1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-3,5-diene-1,2-diamine
SMILESCCOC1CCC(N2CCC(C3(N)C=C(F)C=CC3N)CC2)CC1
InChIInChI=1S/C19H32FN3O/c1-2-24-17-6-4-16(5-7-17)23-11-9-14(10-12-23)19(22)13-15(20)3-8-18(19)21/h3,8,13-14,16-18H,2,4-7,9-12,21-22H2,1H3
InChIKeyLQWSISMOKYWPTB-UHFFFAOYSA-N
MW337.48 g/mol
LogP2.49
Rot. Bonds4

About 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-3,5-diene-1,2-diamine

1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-3,5-diene-1,2-diamine (PubChem CID 172760850) has the molecular formula C19H32FN3O and a molecular weight of 337.48 g/mol. Its IUPAC name is 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-3,5-diene-1,2-diamine
PubChem CID172760850
Molecular FormulaC19H32FN3O
Molecular Weight337.48 g/mol
Exact Mass337.25
IUPAC Name1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-3,5-diene-1,2-diamine
SMILESCCOC1CCC(N2CCC(C3(N)C=C(F)C=CC3N)CC2)CC1
InChIInChI=1S/C19H32FN3O/c1-2-24-17-6-4-16(5-7-17)23-11-9-14(10-12-23)19(22)13-15(20)3-8-18(19)21/h3,8,13-14,16-18H,2,4-7,9-12,21-22H2,1H3
InChIKeyLQWSISMOKYWPTB-UHFFFAOYSA-N
XLogP2.49
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(Oxan-4-yl)piperidin-4-yl]cyclohexa-3,5-diene-1,2-diamine
CID 154240902
1-[1-(4-Ethoxycyclohexyl)piperidin-4-yl]-5-methoxycyclohexa-3,5-diene-1,2-diamine
CID 172713603
1-[1-[4-(Cyclopropylmethoxy)cyclohexyl]piperidin-4-yl]-5-methylcyclohexa-3,5-diene-1,2-diamine
CID 172857070

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-3,5-diene-1,2-diamine (CID 172760850) is 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-3,5-diene-1,2-diamine is CCOC1CCC(N2CCC(C3(N)C=C(F)C=CC3N)CC2)CC1.
What is the InChIKey of 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-3,5-diene-1,2-diamine?
The InChIKey is LQWSISMOKYWPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN3O/c1-2-24-17-6-4-16(5-7-17)23-11-9-14(10-12-23)19(22)13-15(20)3-8-18(19)21/h3,8,13-14,16-18H,2,4-7,9-12,21-22H2,1H3.
What are the key properties of 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-3,5-diene-1,2-diamine?
1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-3,5-diene-1,2-diamine has a molecular weight of 337.48 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 172760850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).