cyclopropylmethyl (2S)-piperidine-2-carboxylate

C10H17NO2 — CID 66262951

IUPACcyclopropylmethyl (2S)-piperidine-2-carboxylate
SMILESO=C(OCC1CC1)[C@@H]1CCCCN1
InChIInChI=1S/C10H17NO2/c12-10(13-7-8-4-5-8)9-3-1-2-6-11-9/h8-9,11H,1-7H2/t9-/m0/s1
InChIKeyKQYTWCJXFHOYJO-VIFPVBQESA-N
MW183.25 g/mol
LogP1.08
Rot. Bonds3

About cyclopropylmethyl (2S)-piperidine-2-carboxylate

cyclopropylmethyl (2S)-piperidine-2-carboxylate (PubChem CID 66262951) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is cyclopropylmethyl (2S)-piperidine-2-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl (2S)-piperidine-2-carboxylate
PubChem CID66262951
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namecyclopropylmethyl (2S)-piperidine-2-carboxylate
SMILESO=C(OCC1CC1)[C@@H]1CCCCN1
InChIInChI=1S/C10H17NO2/c12-10(13-7-8-4-5-8)9-3-1-2-6-11-9/h8-9,11H,1-7H2/t9-/m0/s1
InChIKeyKQYTWCJXFHOYJO-VIFPVBQESA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-4-ylmethyl pyrrolidine-2-carboxylate
CID 62383642
aminomethyl piperidine-2-carboxylate
CID 152636457
2-cyclobutylethyl (2S)-piperidine-2-carboxylate
CID 106202846
2-cyclopropylethyl (2R)-pyrrolidine-2-carboxylate
CID 106202472
2-cyclopropylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202565
oxolan-2-ylmethyl (2R)-piperidine-2-carboxylate
CID 79034768
oxolan-2-ylmethyl piperidine-2-carboxylate
CID 61279092
propyl piperidine-2-carboxylate
CID 43248024
cyclopentylmethyl 4-methylpiperidine-2-carboxylate
CID 114425097
cyclopentylmethyl thiomorpholine-3-carboxylate
CID 82905179
oxan-2-ylmethyl azepane-2-carboxylate
CID 64561712
cyanomethyl piperidine-2-carboxylate
CID 141438271

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl (2S)-piperidine-2-carboxylate?
The IUPAC name of cyclopropylmethyl (2S)-piperidine-2-carboxylate (CID 66262951) is cyclopropylmethyl (2S)-piperidine-2-carboxylate.
What is the SMILES notation for cyclopropylmethyl (2S)-piperidine-2-carboxylate?
The canonical SMILES for cyclopropylmethyl (2S)-piperidine-2-carboxylate is O=C(OCC1CC1)[C@@H]1CCCCN1.
What is the InChIKey of cyclopropylmethyl (2S)-piperidine-2-carboxylate?
The InChIKey is KQYTWCJXFHOYJO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(13-7-8-4-5-8)9-3-1-2-6-11-9/h8-9,11H,1-7H2/t9-/m0/s1.
What are the key properties of cyclopropylmethyl (2S)-piperidine-2-carboxylate?
cyclopropylmethyl (2S)-piperidine-2-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl (2S)-piperidine-2-carboxylate is sourced from PubChem (CID 66262951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).