(4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one

C14H27NO2 — CID 71104200

IUPAC(4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one
SMILESCC[C@@H](C)CCC(=O)N1CCCC[C@@H]1CCO
InChIInChI=1S/C14H27NO2/c1-3-12(2)7-8-14(17)15-10-5-4-6-13(15)9-11-16/h12-13,16H,3-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyVJOHFWIMNAUJKD-CHWSQXEVSA-N
MW241.37 g/mol
LogP2.58
Rot. Bonds6

About (4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one

(4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one (PubChem CID 71104200) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one.

Molecular Properties

Compound Name(4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one
PubChem CID71104200
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one
SMILESCC[C@@H](C)CCC(=O)N1CCCC[C@@H]1CCO
InChIInChI=1S/C14H27NO2/c1-3-12(2)7-8-14(17)15-10-5-4-6-13(15)9-11-16/h12-13,16H,3-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyVJOHFWIMNAUJKD-CHWSQXEVSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one?
The IUPAC name of (4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one (CID 71104200) is (4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one.
What is the SMILES notation for (4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one?
The canonical SMILES for (4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one is CC[C@@H](C)CCC(=O)N1CCCC[C@@H]1CCO.
What is the InChIKey of (4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one?
The InChIKey is VJOHFWIMNAUJKD-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-12(2)7-8-14(17)15-10-5-4-6-13(15)9-11-16/h12-13,16H,3-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one?
(4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-4-methylhexan-1-one is sourced from PubChem (CID 71104200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).