ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate

C15H29NO3 — CID 114511051

IUPACethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate
SMILESCCOC(=O)CCCCCN1CCC(O)C(CC)C1
InChIInChI=1S/C15H29NO3/c1-3-13-12-16(11-9-14(13)17)10-7-5-6-8-15(18)19-4-2/h13-14,17H,3-12H2,1-2H3
InChIKeyPGMKRVLHLRVCBJ-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.20
Rot. Bonds8

About ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate

ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate (PubChem CID 114511051) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate.

Molecular Properties

Compound Nameethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate
PubChem CID114511051
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate
SMILESCCOC(=O)CCCCCN1CCC(O)C(CC)C1
InChIInChI=1S/C15H29NO3/c1-3-13-12-16(11-9-14(13)17)10-7-5-6-8-15(18)19-4-2/h13-14,17H,3-12H2,1-2H3
InChIKeyPGMKRVLHLRVCBJ-UHFFFAOYSA-N
XLogP2.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-[3-(aminomethyl)-4-methylpiperidin-1-yl]hexanoate
CID 114961425
3-ethyl-1-heptylpiperidin-4-ol
CID 114510902
ethyl 4-(4-hydroxypiperidin-1-yl)butanoate
CID 66524329
3-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]propanoic acid
CID 129497995
3-ethyl-1-hept-6-enylpiperidin-4-ol
CID 107011021
ethyl 4-(4-chloropiperidin-1-yl)butanoate
CID 71533979
ethyl 5-(azetidin-1-yl)pentanoate
CID 166535323
ethyl 5-[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl]pentanoate
CID 98354701
ethyl 4-(4-carboxyoxypiperidin-1-yl)butanoate
CID 57137789
ethyl 5-[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]pentanoate
CID 97215479
3-ethyl-1-(3-ethylsulfanylpropyl)piperidin-4-ol
CID 114511149
ethyl 5-[(2R)-2-methylthiomorpholin-4-yl]pentanoate
CID 97215475

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate?
The IUPAC name of ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate (CID 114511051) is ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate.
What is the SMILES notation for ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate?
The canonical SMILES for ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate is CCOC(=O)CCCCCN1CCC(O)C(CC)C1.
What is the InChIKey of ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate?
The InChIKey is PGMKRVLHLRVCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-13-12-16(11-9-14(13)17)10-7-5-6-8-15(18)19-4-2/h13-14,17H,3-12H2,1-2H3.
What are the key properties of ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate?
ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate has a molecular weight of 271.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-ethyl-4-hydroxypiperidin-1-yl)hexanoate is sourced from PubChem (CID 114511051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).