1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine

C18H30N2 — CID 168755966

IUPAC1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine
SMILESCNC(C)C1CCN(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H30N2/c1-14(19-5)15-10-12-20(13-11-15)17-8-6-16(7-9-17)18(2,3)4/h6-9,14-15,19H,10-13H2,1-5H3
InChIKeyYHOIJOYCUYPJEB-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.81
Rot. Bonds3

About 1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine

1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine (PubChem CID 168755966) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine
PubChem CID168755966
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine
SMILESCNC(C)C1CCN(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H30N2/c1-14(19-5)15-10-12-20(13-11-15)17-8-6-16(7-9-17)18(2,3)4/h6-9,14-15,19H,10-13H2,1-5H3
InChIKeyYHOIJOYCUYPJEB-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine (CID 168755966) is 1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine is CNC(C)C1CCN(c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine?
The InChIKey is YHOIJOYCUYPJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(19-5)15-10-12-20(13-11-15)17-8-6-16(7-9-17)18(2,3)4/h6-9,14-15,19H,10-13H2,1-5H3.
What are the key properties of 1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine?
1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butylphenyl)piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 168755966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).