4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine

C19H27Cl2FN2O — CID 68506253

IUPAC4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCC(Oc3c(Cl)cc(F)cc3Cl)CC2)CC1
InChIInChI=1S/C19H27Cl2FN2O/c20-17-11-14(22)12-18(21)19(17)25-16-6-9-24(10-7-16)8-5-13-1-3-15(23)4-2-13/h11-13,15-16H,1-10,23H2
InChIKeyWKJMFOXVENMULI-UHFFFAOYSA-N
MW389.34 g/mol
LogP4.88
Rot. Bonds5

About 4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine

4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine (PubChem CID 68506253) has the molecular formula C19H27Cl2FN2O and a molecular weight of 389.34 g/mol. Its IUPAC name is 4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine
PubChem CID68506253
Molecular FormulaC19H27Cl2FN2O
Molecular Weight389.34 g/mol
Exact Mass388.15
IUPAC Name4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCC(Oc3c(Cl)cc(F)cc3Cl)CC2)CC1
InChIInChI=1S/C19H27Cl2FN2O/c20-17-11-14(22)12-18(21)19(17)25-16-6-9-24(10-7-16)8-5-13-1-3-15(23)4-2-13/h11-13,15-16H,1-10,23H2
InChIKeyWKJMFOXVENMULI-UHFFFAOYSA-N
XLogP4.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine (CID 68506253) is 4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine is NC1CCC(CCN2CCC(Oc3c(Cl)cc(F)cc3Cl)CC2)CC1.
What is the InChIKey of 4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine?
The InChIKey is WKJMFOXVENMULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Cl2FN2O/c20-17-11-14(22)12-18(21)19(17)25-16-6-9-24(10-7-16)8-5-13-1-3-15(23)4-2-13/h11-13,15-16H,1-10,23H2.
What are the key properties of 4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine?
4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine has a molecular weight of 389.34 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 68506253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).