1-(1-tert-butylpiperidin-4-yl)hexan-2-one

C15H29NO — CID 148889148

IUPAC1-(1-tert-butylpiperidin-4-yl)hexan-2-one
SMILESCCCCC(=O)CC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H29NO/c1-5-6-7-14(17)12-13-8-10-16(11-9-13)15(2,3)4/h13H,5-12H2,1-4H3
InChIKeyPEOJMRDAXPABTR-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.65
Rot. Bonds5

About 1-(1-tert-butylpiperidin-4-yl)hexan-2-one

1-(1-tert-butylpiperidin-4-yl)hexan-2-one (PubChem CID 148889148) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-4-yl)hexan-2-one.

Molecular Properties

Compound Name1-(1-tert-butylpiperidin-4-yl)hexan-2-one
PubChem CID148889148
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(1-tert-butylpiperidin-4-yl)hexan-2-one
SMILESCCCCC(=O)CC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H29NO/c1-5-6-7-14(17)12-13-8-10-16(11-9-13)15(2,3)4/h13H,5-12H2,1-4H3
InChIKeyPEOJMRDAXPABTR-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpiperidin-4-yl)hexan-2-one?
The IUPAC name of 1-(1-tert-butylpiperidin-4-yl)hexan-2-one (CID 148889148) is 1-(1-tert-butylpiperidin-4-yl)hexan-2-one.
What is the SMILES notation for 1-(1-tert-butylpiperidin-4-yl)hexan-2-one?
The canonical SMILES for 1-(1-tert-butylpiperidin-4-yl)hexan-2-one is CCCCC(=O)CC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-(1-tert-butylpiperidin-4-yl)hexan-2-one?
The InChIKey is PEOJMRDAXPABTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-6-7-14(17)12-13-8-10-16(11-9-13)15(2,3)4/h13H,5-12H2,1-4H3.
What are the key properties of 1-(1-tert-butylpiperidin-4-yl)hexan-2-one?
1-(1-tert-butylpiperidin-4-yl)hexan-2-one has a molecular weight of 239.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpiperidin-4-yl)hexan-2-one is sourced from PubChem (CID 148889148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).