3-(4-tert-butylpiperidin-1-yl)-5-fluoroheptan-4-one

C16H30FNO — CID 167026889

IUPAC3-(4-tert-butylpiperidin-1-yl)-5-fluoroheptan-4-one
SMILESCCC(F)C(=O)C(CC)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H30FNO/c1-6-13(17)15(19)14(7-2)18-10-8-12(9-11-18)16(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyBHSPSMSMRLKDFU-UHFFFAOYSA-N
MW271.42 g/mol
LogP3.84
Rot. Bonds5

About 3-(4-tert-butylpiperidin-1-yl)-5-fluoroheptan-4-one

3-(4-tert-butylpiperidin-1-yl)-5-fluoroheptan-4-one (PubChem CID 167026889) has the molecular formula C16H30FNO and a molecular weight of 271.42 g/mol. Its IUPAC name is 3-(4-tert-butylpiperidin-1-yl)-5-fluoroheptan-4-one.

Molecular Properties

Compound Name3-(4-tert-butylpiperidin-1-yl)-5-fluoroheptan-4-one
PubChem CID167026889
Molecular FormulaC16H30FNO
Molecular Weight271.42 g/mol
Exact Mass271.23
IUPAC Name3-(4-tert-butylpiperidin-1-yl)-5-fluoroheptan-4-one
SMILESCCC(F)C(=O)C(CC)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H30FNO/c1-6-13(17)15(19)14(7-2)18-10-8-12(9-11-18)16(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyBHSPSMSMRLKDFU-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-tert-butylpiperidin-1-yl)-5-fluoroheptan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-5-fluoroheptan-4-one?
The IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-5-fluoroheptan-4-one (CID 167026889) is 3-(4-tert-butylpiperidin-1-yl)-5-fluoroheptan-4-one.
What is the SMILES notation for 3-(4-tert-butylpiperidin-1-yl)-5-fluoroheptan-4-one?
The canonical SMILES for 3-(4-tert-butylpiperidin-1-yl)-5-fluoroheptan-4-one is CCC(F)C(=O)C(CC)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-(4-tert-butylpiperidin-1-yl)-5-fluoroheptan-4-one?
The InChIKey is BHSPSMSMRLKDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FNO/c1-6-13(17)15(19)14(7-2)18-10-8-12(9-11-18)16(3,4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of 3-(4-tert-butylpiperidin-1-yl)-5-fluoroheptan-4-one?
3-(4-tert-butylpiperidin-1-yl)-5-fluoroheptan-4-one has a molecular weight of 271.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperidin-1-yl)-5-fluoroheptan-4-one is sourced from PubChem (CID 167026889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).