1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine

C18H30N2 — CID 79397422

IUPAC1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccccc2CC)C(C)C1C
InChIInChI=1S/C18H30N2/c1-5-12-19-17-11-13-20(15(4)14(17)3)18-10-8-7-9-16(18)6-2/h7-10,14-15,17,19H,5-6,11-13H2,1-4H3
InChIKeyMLDHILFKBHFTRC-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds5

About 1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine

1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine (PubChem CID 79397422) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
PubChem CID79397422
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccccc2CC)C(C)C1C
InChIInChI=1S/C18H30N2/c1-5-12-19-17-11-13-20(15(4)14(17)3)18-10-8-7-9-16(18)6-2/h7-10,14-15,17,19H,5-6,11-13H2,1-4H3
InChIKeyMLDHILFKBHFTRC-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine?
The IUPAC name of 1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine (CID 79397422) is 1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine is CCCNC1CCN(c2ccccc2CC)C(C)C1C.
What is the InChIKey of 1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine?
The InChIKey is MLDHILFKBHFTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-12-19-17-11-13-20(15(4)14(17)3)18-10-8-7-9-16(18)6-2/h7-10,14-15,17,19H,5-6,11-13H2,1-4H3.
What are the key properties of 1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine?
1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine has a molecular weight of 274.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-2,3-dimethyl-N-propylpiperidin-4-amine is sourced from PubChem (CID 79397422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).