ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate

C13H25NO3 — CID 79316103

IUPACethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCC(C)(C)O)C1
InChIInChI=1S/C13H25NO3/c1-4-17-12(15)11-6-5-8-14(10-11)9-7-13(2,3)16/h11,16H,4-10H2,1-3H3
InChIKeyYUKVNVXKAHWKDY-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.42
Rot. Bonds5

About ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate

ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate (PubChem CID 79316103) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate
PubChem CID79316103
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCC(C)(C)O)C1
InChIInChI=1S/C13H25NO3/c1-4-17-12(15)11-6-5-8-14(10-11)9-7-13(2,3)16/h11,16H,4-10H2,1-3H3
InChIKeyYUKVNVXKAHWKDY-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate
CID 71096303
ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 81339381
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate
CID 103785584
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone
CID 79355581
ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate
CID 113246394
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885
ethyl 1-dodecylpiperidine-3-carboxylate;hydrochloride
CID 117069127
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-3-carboxylate
CID 142693827
ethyl 1-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 114448848

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate (CID 79316103) is ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCC(C)(C)O)C1.
What is the InChIKey of ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate?
The InChIKey is YUKVNVXKAHWKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-17-12(15)11-6-5-8-14(10-11)9-7-13(2,3)16/h11,16H,4-10H2,1-3H3.
What are the key properties of ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate?
ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate is sourced from PubChem (CID 79316103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).