cis-methyl (1R,2S)-2-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride

C10H18ClNO2 — CID 136589484

IUPACcis-methyl (1R,2S)-2-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1C[C@H]1C1CCNCC1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-13-10(12)9-6-8(9)7-2-4-11-5-3-7;/h7-9,11H,2-6H2,1H3;1H/t8-,9+;/m0./s1
InChIKeyVSOAVSBJPVICAY-OULXEKPRSA-N
MW219.71 g/mol
LogP1.22
Rot. Bonds2

About cis-methyl (1R,2S)-2-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride

cis-methyl (1R,2S)-2-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride (PubChem CID 136589484) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride
PubChem CID136589484
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Namecis-methyl (1R,2S)-2-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1C[C@H]1C1CCNCC1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-13-10(12)9-6-8(9)7-2-4-11-5-3-7;/h7-9,11H,2-6H2,1H3;1H/t8-,9+;/m0./s1
InChIKeyVSOAVSBJPVICAY-OULXEKPRSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride?
The IUPAC name of cis-methyl (1R,2S)-2-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride (CID 136589484) is cis-methyl (1R,2S)-2-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride.
What is the SMILES notation for cis-methyl (1R,2S)-2-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride?
The canonical SMILES for cis-methyl (1R,2S)-2-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride is COC(=O)[C@@H]1C[C@H]1C1CCNCC1.Cl.
What is the InChIKey of cis-methyl (1R,2S)-2-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride?
The InChIKey is VSOAVSBJPVICAY-OULXEKPRSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c1-13-10(12)9-6-8(9)7-2-4-11-5-3-7;/h7-9,11H,2-6H2,1H3;1H/t8-,9+;/m0./s1.
What are the key properties of cis-methyl (1R,2S)-2-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride?
cis-methyl (1R,2S)-2-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride is sourced from PubChem (CID 136589484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).