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

C19H32N2 — CID 79413586

IUPAC1-[(2-ethylphenyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(Cc2ccccc2CC)C(C)C1C
InChIInChI=1S/C19H32N2/c1-5-12-20-19-11-13-21(16(4)15(19)3)14-18-10-8-7-9-17(18)6-2/h7-10,15-16,19-20H,5-6,11-14H2,1-4H3
InChIKeyRMEXEMUFOIIWNM-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.85
Rot. Bonds6

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

1-[(2-ethylphenyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine (PubChem CID 79413586) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine
PubChem CID79413586
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[(2-ethylphenyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(Cc2ccccc2CC)C(C)C1C
InChIInChI=1S/C19H32N2/c1-5-12-20-19-11-13-21(16(4)15(19)3)14-18-10-8-7-9-17(18)6-2/h7-10,15-16,19-20H,5-6,11-14H2,1-4H3
InChIKeyRMEXEMUFOIIWNM-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
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)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine?
The IUPAC name of 1-[(2-ethylphenyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine (CID 79413586) is 1-[(2-ethylphenyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine is CCCNC1CCN(Cc2ccccc2CC)C(C)C1C.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine?
The InChIKey is RMEXEMUFOIIWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-12-20-19-11-13-21(16(4)15(19)3)14-18-10-8-7-9-17(18)6-2/h7-10,15-16,19-20H,5-6,11-14H2,1-4H3.
What are the key properties of 1-[(2-ethylphenyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine?
1-[(2-ethylphenyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine has a molecular weight of 288.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine is sourced from PubChem (CID 79413586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).