ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate

C14H27NO3 — CID 103785584

IUPACethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CCOC(C)(C)C)C1
InChIInChI=1S/C14H27NO3/c1-5-17-13(16)12-7-6-8-15(11-12)9-10-18-14(2,3)4/h12H,5-11H2,1-4H3/t12-/m0/s1
InChIKeyBMBAMPRROBIMFN-LBPRGKRZSA-N
MW257.37 g/mol
LogP2.08
Rot. Bonds5

About ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate

ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate (PubChem CID 103785584) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate
PubChem CID103785584
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(CCOC(C)(C)C)C1
InChIInChI=1S/C14H27NO3/c1-5-17-13(16)12-7-6-8-15(11-12)9-10-18-14(2,3)4/h12H,5-11H2,1-4H3/t12-/m0/s1
InChIKeyBMBAMPRROBIMFN-LBPRGKRZSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate
CID 79316103
ethyl 1-(3,3-dimethylpentyl)piperidine-3-carboxylate
CID 71096303
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate
CID 113246394
ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 81339381
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
ethyl (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-3-carboxylate
CID 104891378

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate (CID 103785584) is ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(CCOC(C)(C)C)C1.
What is the InChIKey of ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate?
The InChIKey is BMBAMPRROBIMFN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-17-13(16)12-7-6-8-15(11-12)9-10-18-14(2,3)4/h12H,5-11H2,1-4H3/t12-/m0/s1.
What are the key properties of ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate?
ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate is sourced from PubChem (CID 103785584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).