formyl (2S)-2-ethoxy-2-hydroxy-6-piperidin-4-ylhexanoate

C14H25NO5 — CID 174338168

IUPACformyl (2S)-2-ethoxy-2-hydroxy-6-piperidin-4-ylhexanoate
SMILESCCO[C@@](O)(CCCCC1CCNCC1)C(=O)OC=O
InChIInChI=1S/C14H25NO5/c1-2-20-14(18,13(17)19-11-16)8-4-3-5-12-6-9-15-10-7-12/h11-12,15,18H,2-10H2,1H3/t14-/m0/s1
InChIKeyYMIJQTMPBIRFHI-AWEZNQCLSA-N
MW287.36 g/mol
LogP0.97
Rot. Bonds9

About formyl (2S)-2-ethoxy-2-hydroxy-6-piperidin-4-ylhexanoate

formyl (2S)-2-ethoxy-2-hydroxy-6-piperidin-4-ylhexanoate (PubChem CID 174338168) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is formyl (2S)-2-ethoxy-2-hydroxy-6-piperidin-4-ylhexanoate.

Molecular Properties

Compound Nameformyl (2S)-2-ethoxy-2-hydroxy-6-piperidin-4-ylhexanoate
PubChem CID174338168
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Nameformyl (2S)-2-ethoxy-2-hydroxy-6-piperidin-4-ylhexanoate
SMILESCCO[C@@](O)(CCCCC1CCNCC1)C(=O)OC=O
InChIInChI=1S/C14H25NO5/c1-2-20-14(18,13(17)19-11-16)8-4-3-5-12-6-9-15-10-7-12/h11-12,15,18H,2-10H2,1H3/t14-/m0/s1
InChIKeyYMIJQTMPBIRFHI-AWEZNQCLSA-N
XLogP0.97
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-piperidin-4-ylbutanoate
CID 10631848
4-hexadecylpiperidine
CID 54096875
4-(2-bromoethyl)piperidine;ethyl formate
CID 174593815
4-heptylpiperidine;methane
CID 144690559
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
6-piperidin-4-ylhexanoic acid;hydrochloride
CID 175496975
2-piperidin-4-ylethyl propanoate
CID 53408774
ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate
CID 83212988
diethyl 2-(2-piperidin-4-ylethyl)propanedioate
CID 57155204
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833
5-piperidin-4-ylpentan-1-ol
CID 20528701
4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine
CID 10821871

Frequently Asked Questions

What is the IUPAC name of formyl (2S)-2-ethoxy-2-hydroxy-6-piperidin-4-ylhexanoate?
The IUPAC name of formyl (2S)-2-ethoxy-2-hydroxy-6-piperidin-4-ylhexanoate (CID 174338168) is formyl (2S)-2-ethoxy-2-hydroxy-6-piperidin-4-ylhexanoate.
What is the SMILES notation for formyl (2S)-2-ethoxy-2-hydroxy-6-piperidin-4-ylhexanoate?
The canonical SMILES for formyl (2S)-2-ethoxy-2-hydroxy-6-piperidin-4-ylhexanoate is CCO[C@@](O)(CCCCC1CCNCC1)C(=O)OC=O.
What is the InChIKey of formyl (2S)-2-ethoxy-2-hydroxy-6-piperidin-4-ylhexanoate?
The InChIKey is YMIJQTMPBIRFHI-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25NO5/c1-2-20-14(18,13(17)19-11-16)8-4-3-5-12-6-9-15-10-7-12/h11-12,15,18H,2-10H2,1H3/t14-/m0/s1.
What are the key properties of formyl (2S)-2-ethoxy-2-hydroxy-6-piperidin-4-ylhexanoate?
formyl (2S)-2-ethoxy-2-hydroxy-6-piperidin-4-ylhexanoate has a molecular weight of 287.36 g/mol, XLogP of 0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formyl (2S)-2-ethoxy-2-hydroxy-6-piperidin-4-ylhexanoate is sourced from PubChem (CID 174338168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).