ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate

C16H31NO3 — CID 114337967

IUPACethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate
SMILESCCOC(=O)CCCCCN1CCCCC1CC(C)O
InChIInChI=1S/C16H31NO3/c1-3-20-16(19)10-5-4-7-11-17-12-8-6-9-15(17)13-14(2)18/h14-15,18H,3-13H2,1-2H3
InChIKeyRDAFEDPSJMRZQS-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.74
Rot. Bonds9

About ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate

ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate (PubChem CID 114337967) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate.

Molecular Properties

Compound Nameethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate
PubChem CID114337967
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nameethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate
SMILESCCOC(=O)CCCCCN1CCCCC1CC(C)O
InChIInChI=1S/C16H31NO3/c1-3-20-16(19)10-5-4-7-11-17-12-8-6-9-15(17)13-14(2)18/h14-15,18H,3-13H2,1-2H3
InChIKeyRDAFEDPSJMRZQS-UHFFFAOYSA-N
XLogP2.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.74
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-(2-propylpiperidin-1-yl)hexanoate
CID 83055887
ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate
CID 114338113
ethyl 6-[2-(2-oxopropyl)azepan-1-yl]hexanoate
CID 79540569
1-(1-heptylazepan-2-yl)propan-2-ol
CID 114338882
1-[2-(2-hydroxypropyl)piperidin-1-yl]nonan-1-one
CID 79536446
3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 114337979
N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide
CID 114338248
6-(2-ethylazepan-1-yl)hexanehydrazide
CID 113442029
1-(1-pent-4-enylpiperidin-2-yl)propan-2-ol
CID 114338062
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one
CID 79547123
ethyl 8-cyclohexyl-8-oxooctanoate
CID 24727431

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate?
The IUPAC name of ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate (CID 114337967) is ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate.
What is the SMILES notation for ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate?
The canonical SMILES for ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate is CCOC(=O)CCCCCN1CCCCC1CC(C)O.
What is the InChIKey of ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate?
The InChIKey is RDAFEDPSJMRZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-3-20-16(19)10-5-4-7-11-17-12-8-6-9-15(17)13-14(2)18/h14-15,18H,3-13H2,1-2H3.
What are the key properties of ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate?
ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate has a molecular weight of 285.43 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate is sourced from PubChem (CID 114337967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).