1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane

C20H35N — CID 145175028

IUPAC1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane
SMILESCC.CC(C)C1CCN(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H29N.C2H6/c1-14(2)15-10-12-19(13-11-15)17-8-6-16(7-9-17)18(3,4)5;1-2/h6-9,14-15H,10-13H2,1-5H3;1-2H3
InChIKeyHCXUQLAVUTXMEB-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.88
Rot. Bonds2

About 1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane

1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane (PubChem CID 145175028) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane
PubChem CID145175028
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane
SMILESCC.CC(C)C1CCN(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H29N.C2H6/c1-14(2)15-10-12-19(13-11-15)17-8-6-16(7-9-17)18(3,4)5;1-2/h6-9,14-15H,10-13H2,1-5H3;1-2H3
InChIKeyHCXUQLAVUTXMEB-UHFFFAOYSA-N
XLogP5.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane?
The IUPAC name of 1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane (CID 145175028) is 1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane is CC.CC(C)C1CCN(c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane?
The InChIKey is HCXUQLAVUTXMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N.C2H6/c1-14(2)15-10-12-19(13-11-15)17-8-6-16(7-9-17)18(3,4)5;1-2/h6-9,14-15H,10-13H2,1-5H3;1-2H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane?
1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane has a molecular weight of 289.51 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane is sourced from PubChem (CID 145175028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).