ethyl (4R)-4-propylpiperidine-3-carboxylate

C11H21NO2 — CID 121479190

IUPACethyl (4R)-4-propylpiperidine-3-carboxylate
SMILESCCC[C@@H]1CCNCC1C(=O)OCC
InChIInChI=1S/C11H21NO2/c1-3-5-9-6-7-12-8-10(9)11(13)14-4-2/h9-10,12H,3-8H2,1-2H3/t9-,10?/m1/s1
InChIKeyKLVRYVCBNDTDJH-YHMJZVADSA-N
MW199.29 g/mol
LogP1.58
Rot. Bonds4

About ethyl (4R)-4-propylpiperidine-3-carboxylate

ethyl (4R)-4-propylpiperidine-3-carboxylate (PubChem CID 121479190) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl (4R)-4-propylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-4-propylpiperidine-3-carboxylate
PubChem CID121479190
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl (4R)-4-propylpiperidine-3-carboxylate
SMILESCCC[C@@H]1CCNCC1C(=O)OCC
InChIInChI=1S/C11H21NO2/c1-3-5-9-6-7-12-8-10(9)11(13)14-4-2/h9-10,12H,3-8H2,1-2H3/t9-,10?/m1/s1
InChIKeyKLVRYVCBNDTDJH-YHMJZVADSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S,4R)-3-methylpiperidine-4-carboxylate
CID 27282207
ethyl (3S,4S)-3-methylpiperidine-4-carboxylate
CID 27282210
ethyl (3R,4S)-4-ethylpyrrolidine-3-carboxylate
CID 91664549
cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
CID 45090224
ethyl 3-aminoazepane-4-carboxylate
CID 155145528
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137561
ethyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 94411103
ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate
CID 131850205
ethyl (3S,4R)-4-cyclopropylpyrrolidine-3-carboxylate
CID 131632236
2-(3-propylpiperidin-4-yl)acetic acid
CID 84660229
acetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate
CID 67539276

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-propylpiperidine-3-carboxylate?
The IUPAC name of ethyl (4R)-4-propylpiperidine-3-carboxylate (CID 121479190) is ethyl (4R)-4-propylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (4R)-4-propylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (4R)-4-propylpiperidine-3-carboxylate is CCC[C@@H]1CCNCC1C(=O)OCC.
What is the InChIKey of ethyl (4R)-4-propylpiperidine-3-carboxylate?
The InChIKey is KLVRYVCBNDTDJH-YHMJZVADSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-9-6-7-12-8-10(9)11(13)14-4-2/h9-10,12H,3-8H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of ethyl (4R)-4-propylpiperidine-3-carboxylate?
ethyl (4R)-4-propylpiperidine-3-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-propylpiperidine-3-carboxylate is sourced from PubChem (CID 121479190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).