[(1S)-2-fluoro-6-methylcyclohexyl]-piperidin-1-ylmethanone

C13H22FNO — CID 135171451

IUPAC[(1S)-2-fluoro-6-methylcyclohexyl]-piperidin-1-ylmethanone
SMILESCC1CCCC(F)[C@@H]1C(=O)N1CCCCC1
InChIInChI=1S/C13H22FNO/c1-10-6-5-7-11(14)12(10)13(16)15-8-3-2-4-9-15/h10-12H,2-9H2,1H3/t10?,11?,12-/m1/s1
InChIKeyKTDJUIDBQKBHHU-HTAVTVPLSA-N
MW227.32 g/mol
LogP2.77
Rot. Bonds1

About [(1S)-2-fluoro-6-methylcyclohexyl]-piperidin-1-ylmethanone

[(1S)-2-fluoro-6-methylcyclohexyl]-piperidin-1-ylmethanone (PubChem CID 135171451) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is [(1S)-2-fluoro-6-methylcyclohexyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(1S)-2-fluoro-6-methylcyclohexyl]-piperidin-1-ylmethanone
PubChem CID135171451
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name[(1S)-2-fluoro-6-methylcyclohexyl]-piperidin-1-ylmethanone
SMILESCC1CCCC(F)[C@@H]1C(=O)N1CCCCC1
InChIInChI=1S/C13H22FNO/c1-10-6-5-7-11(14)12(10)13(16)15-8-3-2-4-9-15/h10-12H,2-9H2,1H3/t10?,11?,12-/m1/s1
InChIKeyKTDJUIDBQKBHHU-HTAVTVPLSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-fluoro-6-methylcyclohexyl]-piperidin-1-ylmethanone?
The IUPAC name of [(1S)-2-fluoro-6-methylcyclohexyl]-piperidin-1-ylmethanone (CID 135171451) is [(1S)-2-fluoro-6-methylcyclohexyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(1S)-2-fluoro-6-methylcyclohexyl]-piperidin-1-ylmethanone?
The canonical SMILES for [(1S)-2-fluoro-6-methylcyclohexyl]-piperidin-1-ylmethanone is CC1CCCC(F)[C@@H]1C(=O)N1CCCCC1.
What is the InChIKey of [(1S)-2-fluoro-6-methylcyclohexyl]-piperidin-1-ylmethanone?
The InChIKey is KTDJUIDBQKBHHU-HTAVTVPLSA-N. The full InChI is InChI=1S/C13H22FNO/c1-10-6-5-7-11(14)12(10)13(16)15-8-3-2-4-9-15/h10-12H,2-9H2,1H3/t10?,11?,12-/m1/s1.
What are the key properties of [(1S)-2-fluoro-6-methylcyclohexyl]-piperidin-1-ylmethanone?
[(1S)-2-fluoro-6-methylcyclohexyl]-piperidin-1-ylmethanone has a molecular weight of 227.32 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-fluoro-6-methylcyclohexyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135171451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).