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

C20H35N3O2 — CID 172713603

IUPAC1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-methoxycyclohexa-3,5-diene-1,2-diamine
SMILESCCOC1CCC(N2CCC(C3(N)C=C(OC)C=CC3N)CC2)CC1
InChIInChI=1S/C20H35N3O2/c1-3-25-17-6-4-16(5-7-17)23-12-10-15(11-13-23)20(22)14-18(24-2)8-9-19(20)21/h8-9,14-17,19H,3-7,10-13,21-22H2,1-2H3
InChIKeyFOJRIEBXMYQQOA-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.17
Rot. Bonds5

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

1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-methoxycyclohexa-3,5-diene-1,2-diamine (PubChem CID 172713603) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-methoxycyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-methoxycyclohexa-3,5-diene-1,2-diamine
PubChem CID172713603
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-methoxycyclohexa-3,5-diene-1,2-diamine
SMILESCCOC1CCC(N2CCC(C3(N)C=C(OC)C=CC3N)CC2)CC1
InChIInChI=1S/C20H35N3O2/c1-3-25-17-6-4-16(5-7-17)23-12-10-15(11-13-23)20(22)14-18(24-2)8-9-19(20)21/h8-9,14-17,19H,3-7,10-13,21-22H2,1-2H3
InChIKeyFOJRIEBXMYQQOA-UHFFFAOYSA-N
XLogP2.17
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-Ethoxycyclohexyl)piperidin-4-yl]-5-fluorocyclohexa-3,5-diene-1,2-diamine
CID 172760850
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-methoxycyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-methoxycyclohexa-3,5-diene-1,2-diamine (CID 172713603) is 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-methoxycyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-methoxycyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-methoxycyclohexa-3,5-diene-1,2-diamine is CCOC1CCC(N2CCC(C3(N)C=C(OC)C=CC3N)CC2)CC1.
What is the InChIKey of 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-methoxycyclohexa-3,5-diene-1,2-diamine?
The InChIKey is FOJRIEBXMYQQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-3-25-17-6-4-16(5-7-17)23-12-10-15(11-13-23)20(22)14-18(24-2)8-9-19(20)21/h8-9,14-17,19H,3-7,10-13,21-22H2,1-2H3.
What are the key properties of 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-methoxycyclohexa-3,5-diene-1,2-diamine?
1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-methoxycyclohexa-3,5-diene-1,2-diamine has a molecular weight of 349.52 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxycyclohexyl)piperidin-4-yl]-5-methoxycyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 172713603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).