N-(4-ethylphenyl)-1-methyl-4-prop-2-enylpiperidin-4-amine

C17H26N2 — CID 4712281

IUPACN-(4-ethylphenyl)-1-methyl-4-prop-2-enylpiperidin-4-amine
SMILESC=CCC1(Nc2ccc(CC)cc2)CCN(C)CC1
InChIInChI=1S/C17H26N2/c1-4-10-17(11-13-19(3)14-12-17)18-16-8-6-15(5-2)7-9-16/h4,6-9,18H,1,5,10-14H2,2-3H3
InChIKeyNARRPOYRYHHSFI-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.70
Rot. Bonds5

About N-(4-ethylphenyl)-1-methyl-4-prop-2-enylpiperidin-4-amine

N-(4-ethylphenyl)-1-methyl-4-prop-2-enylpiperidin-4-amine (PubChem CID 4712281) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-methyl-4-prop-2-enylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-methyl-4-prop-2-enylpiperidin-4-amine
PubChem CID4712281
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(4-ethylphenyl)-1-methyl-4-prop-2-enylpiperidin-4-amine
SMILESC=CCC1(Nc2ccc(CC)cc2)CCN(C)CC1
InChIInChI=1S/C17H26N2/c1-4-10-17(11-13-19(3)14-12-17)18-16-8-6-15(5-2)7-9-16/h4,6-9,18H,1,5,10-14H2,2-3H3
InChIKeyNARRPOYRYHHSFI-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-methyl-4-prop-2-enylpiperidin-4-amine?
The IUPAC name of N-(4-ethylphenyl)-1-methyl-4-prop-2-enylpiperidin-4-amine (CID 4712281) is N-(4-ethylphenyl)-1-methyl-4-prop-2-enylpiperidin-4-amine.
What is the SMILES notation for N-(4-ethylphenyl)-1-methyl-4-prop-2-enylpiperidin-4-amine?
The canonical SMILES for N-(4-ethylphenyl)-1-methyl-4-prop-2-enylpiperidin-4-amine is C=CCC1(Nc2ccc(CC)cc2)CCN(C)CC1.
What is the InChIKey of N-(4-ethylphenyl)-1-methyl-4-prop-2-enylpiperidin-4-amine?
The InChIKey is NARRPOYRYHHSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-4-10-17(11-13-19(3)14-12-17)18-16-8-6-15(5-2)7-9-16/h4,6-9,18H,1,5,10-14H2,2-3H3.
What are the key properties of N-(4-ethylphenyl)-1-methyl-4-prop-2-enylpiperidin-4-amine?
N-(4-ethylphenyl)-1-methyl-4-prop-2-enylpiperidin-4-amine has a molecular weight of 258.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-methyl-4-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 4712281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).