ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate

C12H21NO2 — CID 81338188

IUPACethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC2CC2)C1
InChIInChI=1S/C12H21NO2/c1-2-15-12(14)11-4-3-7-13(9-11)8-10-5-6-10/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyZTTHPVVYQICCNG-LLVKDONJSA-N
MW211.30 g/mol
LogP1.67
Rot. Bonds4

About ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate

ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate (PubChem CID 81338188) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
PubChem CID81338188
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC2CC2)C1
InChIInChI=1S/C12H21NO2/c1-2-15-12(14)11-4-3-7-13(9-11)8-10-5-6-10/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyZTTHPVVYQICCNG-LLVKDONJSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-(oxan-4-ylmethyl)piperidine-3-carboxylate
CID 81338184
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753
ethyl (3R)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339277
ethyl (3S)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339366
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
ethyl (3R)-1-(2-fluoroethyl)piperidine-3-carboxylate
CID 81361898
ethyl 1-(2-cyclohexylethyl)piperidine-3-carboxylate
CID 113246394
methyl 1-(cyclopentylmethyl)piperidine-3-carboxylate
CID 78921285
ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 81339381
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885
ethyl (3S)-1-(2,2-difluoroethyl)piperidine-3-carboxylate
CID 28869444

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate (CID 81338188) is ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CC2CC2)C1.
What is the InChIKey of ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate?
The InChIKey is ZTTHPVVYQICCNG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-15-12(14)11-4-3-7-13(9-11)8-10-5-6-10/h10-11H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate?
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate is sourced from PubChem (CID 81338188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).