ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate

C10H18FNO2 — CID 81361898

IUPACethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CCF)C1
InChIInChI=1S/C10H18FNO2/c1-2-14-10(13)9-4-3-6-12(8-9)7-5-11/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyGMIBAJAHAORWNV-SECBINFHSA-N
MW203.26 g/mol
LogP1.23
Rot. Bonds4

About ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate

ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate (PubChem CID 81361898) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
PubChem CID81361898
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Nameethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CCF)C1
InChIInChI=1S/C10H18FNO2/c1-2-14-10(13)9-4-3-6-12(8-9)7-5-11/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyGMIBAJAHAORWNV-SECBINFHSA-N
XLogP1.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
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-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 114448848
ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate
CID 113246394
ethyl 1-(3-hydroxy-3-methylbutyl)piperidine-3-carboxylate
CID 79316103
ethyl (3R)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidine-3-carboxylate
CID 104891378
ethyl (3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylate
CID 28869444
ethyl (3R)-1-[3-(dimethylamino)propyl]piperidine-3-carboxylate
CID 103785632
ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate
CID 115538067
ethyl (3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate
CID 103785584

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate (CID 81361898) is ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CCF)C1.
What is the InChIKey of ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate?
The InChIKey is GMIBAJAHAORWNV-SECBINFHSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-2-14-10(13)9-4-3-6-12(8-9)7-5-11/h9H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate?
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate has a molecular weight of 203.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate is sourced from PubChem (CID 81361898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).