(4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide

C13H25FN2O2 — CID 144600505

IUPAC(4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide
SMILESC[C@@H](CCC(N)=O)CCN1CCC(F)(CO)CC1
InChIInChI=1S/C13H25FN2O2/c1-11(2-3-12(15)18)4-7-16-8-5-13(14,10-17)6-9-16/h11,17H,2-10H2,1H3,(H2,15,18)/t11-/m0/s1
InChIKeyZOMOPZMVZKDAEB-NSHDSACASA-N
MW260.35 g/mol
LogP1.07
Rot. Bonds7

About (4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide

(4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide (PubChem CID 144600505) has the molecular formula C13H25FN2O2 and a molecular weight of 260.35 g/mol. Its IUPAC name is (4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide.

Molecular Properties

Compound Name(4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide
PubChem CID144600505
Molecular FormulaC13H25FN2O2
Molecular Weight260.35 g/mol
Exact Mass260.19
IUPAC Name(4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide
SMILESC[C@@H](CCC(N)=O)CCN1CCC(F)(CO)CC1
InChIInChI=1S/C13H25FN2O2/c1-11(2-3-12(15)18)4-7-16-8-5-13(14,10-17)6-9-16/h11,17H,2-10H2,1H3,(H2,15,18)/t11-/m0/s1
InChIKeyZOMOPZMVZKDAEB-NSHDSACASA-N
XLogP1.07
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide?
The IUPAC name of (4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide (CID 144600505) is (4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide.
What is the SMILES notation for (4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide?
The canonical SMILES for (4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide is C[C@@H](CCC(N)=O)CCN1CCC(F)(CO)CC1.
What is the InChIKey of (4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide?
The InChIKey is ZOMOPZMVZKDAEB-NSHDSACASA-N. The full InChI is InChI=1S/C13H25FN2O2/c1-11(2-3-12(15)18)4-7-16-8-5-13(14,10-17)6-9-16/h11,17H,2-10H2,1H3,(H2,15,18)/t11-/m0/s1.
What are the key properties of (4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide?
(4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide has a molecular weight of 260.35 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide is sourced from PubChem (CID 144600505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).