(3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide

C13H25FN2O3 — CID 118374608

IUPAC(3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide
SMILESC[C@H](CCN1CCC(F)(CO)CC1)[C@@H](O)CC(N)=O
InChIInChI=1S/C13H25FN2O3/c1-10(11(18)8-12(15)19)2-5-16-6-3-13(14,9-17)4-7-16/h10-11,17-18H,2-9H2,1H3,(H2,15,19)/t10-,11+/m1/s1
InChIKeyYGUPKQAJDPAMQI-MNOVXSKESA-N
MW276.35 g/mol
LogP0.05
Rot. Bonds7

About (3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide

(3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide (PubChem CID 118374608) has the molecular formula C13H25FN2O3 and a molecular weight of 276.35 g/mol. Its IUPAC name is (3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide.

Molecular Properties

Compound Name(3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide
PubChem CID118374608
Molecular FormulaC13H25FN2O3
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name(3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide
SMILESC[C@H](CCN1CCC(F)(CO)CC1)[C@@H](O)CC(N)=O
InChIInChI=1S/C13H25FN2O3/c1-10(11(18)8-12(15)19)2-5-16-6-3-13(14,9-17)4-7-16/h10-11,17-18H,2-9H2,1H3,(H2,15,19)/t10-,11+/m1/s1
InChIKeyYGUPKQAJDPAMQI-MNOVXSKESA-N
XLogP0.05
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide?
The IUPAC name of (3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide (CID 118374608) is (3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide.
What is the SMILES notation for (3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide?
The canonical SMILES for (3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide is C[C@H](CCN1CCC(F)(CO)CC1)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide?
The InChIKey is YGUPKQAJDPAMQI-MNOVXSKESA-N. The full InChI is InChI=1S/C13H25FN2O3/c1-10(11(18)8-12(15)19)2-5-16-6-3-13(14,9-17)4-7-16/h10-11,17-18H,2-9H2,1H3,(H2,15,19)/t10-,11+/m1/s1.
What are the key properties of (3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide?
(3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide has a molecular weight of 276.35 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide is sourced from PubChem (CID 118374608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).