methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate

C10H17NO3 — CID 118429403

IUPACmethyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(N2CCC(O)CC2)CC1
InChIInChI=1S/C10H17NO3/c1-14-9(13)10(4-5-10)11-6-2-8(12)3-7-11/h8,12H,2-7H2,1H3
InChIKeyUOVINSIRZGNICL-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.15
Rot. Bonds2

About methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate

methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate (PubChem CID 118429403) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate
PubChem CID118429403
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(N2CCC(O)CC2)CC1
InChIInChI=1S/C10H17NO3/c1-14-9(13)10(4-5-10)11-6-2-8(12)3-7-11/h8,12H,2-7H2,1H3
InChIKeyUOVINSIRZGNICL-UHFFFAOYSA-N
XLogP0.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate (CID 118429403) is methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate is COC(=O)C1(N2CCC(O)CC2)CC1.
What is the InChIKey of methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate?
The InChIKey is UOVINSIRZGNICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-14-9(13)10(4-5-10)11-6-2-8(12)3-7-11/h8,12H,2-7H2,1H3.
What are the key properties of methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate?
methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 118429403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).