methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate

C12H21NO3 — CID 115537096

IUPACmethyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C2CCCC2O)C1
InChIInChI=1S/C12H21NO3/c1-16-12(15)9-4-3-7-13(8-9)10-5-2-6-11(10)14/h9-11,14H,2-8H2,1H3
InChIKeyCRTMQZPINHLYKK-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.78
Rot. Bonds2

About methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate

methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate (PubChem CID 115537096) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate
PubChem CID115537096
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C2CCCC2O)C1
InChIInChI=1S/C12H21NO3/c1-16-12(15)9-4-3-7-13(8-9)10-5-2-6-11(10)14/h9-11,14H,2-8H2,1H3
InChIKeyCRTMQZPINHLYKK-UHFFFAOYSA-N
XLogP0.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate (CID 115537096) is methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate is COC(=O)C1CCCN(C2CCCC2O)C1.
What is the InChIKey of methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate?
The InChIKey is CRTMQZPINHLYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-16-12(15)9-4-3-7-13(8-9)10-5-2-6-11(10)14/h9-11,14H,2-8H2,1H3.
What are the key properties of methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate?
methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxycyclopentyl)piperidine-3-carboxylate is sourced from PubChem (CID 115537096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).