ethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate

C12H21NO2 — CID 99868054

IUPACethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@]1(CC2CC2)CCCNC1
InChIInChI=1S/C12H21NO2/c1-2-15-11(14)12(8-10-4-5-10)6-3-7-13-9-12/h10,13H,2-9H2,1H3/t12-/m0/s1
InChIKeyIPTOBMOYRIRQTP-LBPRGKRZSA-N
MW211.30 g/mol
LogP1.72
Rot. Bonds4

About ethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate

ethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate (PubChem CID 99868054) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate
PubChem CID99868054
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@]1(CC2CC2)CCCNC1
InChIInChI=1S/C12H21NO2/c1-2-15-11(14)12(8-10-4-5-10)6-3-7-13-9-12/h10,13H,2-9H2,1H3/t12-/m0/s1
InChIKeyIPTOBMOYRIRQTP-LBPRGKRZSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-3-(3-methylbut-2-enyl)piperidine-3-carboxylate
CID 129463338
ethyl (3S)-3-benzylpiperidine-3-carboxylate
CID 10800527
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
2-ethoxyethyl 3-ethylpiperidine-3-carboxylate
CID 63137981
ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 56753093
ethyl (3R)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 95213169
ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
CID 91828144
2-methylpropyl 3-ethylpiperidine-3-carboxylate
CID 63137680
ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride
CID 137331820
ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate
CID 95220722
ethyl (3S)-3-methylazepane-3-carboxylate
CID 124785367
ethyl (3S)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 95207559

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate (CID 99868054) is ethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate is CCOC(=O)[C@]1(CC2CC2)CCCNC1.
What is the InChIKey of ethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate?
The InChIKey is IPTOBMOYRIRQTP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-15-11(14)12(8-10-4-5-10)6-3-7-13-9-12/h10,13H,2-9H2,1H3/t12-/m0/s1.
What are the key properties of ethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate?
ethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate is sourced from PubChem (CID 99868054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).