(5-fluoro-2-propan-2-ylcyclohexyl)-(1-methylpiperidin-4-yl)methanone

C16H28FNO — CID 58539895

IUPAC(5-fluoro-2-propan-2-ylcyclohexyl)-(1-methylpiperidin-4-yl)methanone
SMILESCC(C)C1CCC(F)CC1C(=O)C1CCN(C)CC1
InChIInChI=1S/C16H28FNO/c1-11(2)14-5-4-13(17)10-15(14)16(19)12-6-8-18(3)9-7-12/h11-15H,4-10H2,1-3H3
InChIKeyACVZXPDOWZGSQP-UHFFFAOYSA-N
MW269.40 g/mol
LogP3.31
Rot. Bonds3

About (5-fluoro-2-propan-2-ylcyclohexyl)-(1-methylpiperidin-4-yl)methanone

(5-fluoro-2-propan-2-ylcyclohexyl)-(1-methylpiperidin-4-yl)methanone (PubChem CID 58539895) has the molecular formula C16H28FNO and a molecular weight of 269.40 g/mol. Its IUPAC name is (5-fluoro-2-propan-2-ylcyclohexyl)-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-propan-2-ylcyclohexyl)-(1-methylpiperidin-4-yl)methanone
PubChem CID58539895
Molecular FormulaC16H28FNO
Molecular Weight269.40 g/mol
Exact Mass269.22
IUPAC Name(5-fluoro-2-propan-2-ylcyclohexyl)-(1-methylpiperidin-4-yl)methanone
SMILESCC(C)C1CCC(F)CC1C(=O)C1CCN(C)CC1
InChIInChI=1S/C16H28FNO/c1-11(2)14-5-4-13(17)10-15(14)16(19)12-6-8-18(3)9-7-12/h11-15H,4-10H2,1-3H3
InChIKeyACVZXPDOWZGSQP-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-fluoro-2-propan-2-ylcyclohexyl)-(1-methylpiperidin-4-yl)methanone 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 (5-fluoro-2-propan-2-ylcyclohexyl)-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of (5-fluoro-2-propan-2-ylcyclohexyl)-(1-methylpiperidin-4-yl)methanone (CID 58539895) is (5-fluoro-2-propan-2-ylcyclohexyl)-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for (5-fluoro-2-propan-2-ylcyclohexyl)-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for (5-fluoro-2-propan-2-ylcyclohexyl)-(1-methylpiperidin-4-yl)methanone is CC(C)C1CCC(F)CC1C(=O)C1CCN(C)CC1.
What is the InChIKey of (5-fluoro-2-propan-2-ylcyclohexyl)-(1-methylpiperidin-4-yl)methanone?
The InChIKey is ACVZXPDOWZGSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FNO/c1-11(2)14-5-4-13(17)10-15(14)16(19)12-6-8-18(3)9-7-12/h11-15H,4-10H2,1-3H3.
What are the key properties of (5-fluoro-2-propan-2-ylcyclohexyl)-(1-methylpiperidin-4-yl)methanone?
(5-fluoro-2-propan-2-ylcyclohexyl)-(1-methylpiperidin-4-yl)methanone has a molecular weight of 269.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-propan-2-ylcyclohexyl)-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 58539895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).