methyl 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate

C14H24N2O2 — CID 69076773

IUPACmethyl 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CCCN(CCN2CCCCC2)C1
InChIInChI=1S/C14H24N2O2/c1-18-14(17)13-6-5-9-16(12-13)11-10-15-7-3-2-4-8-15/h6H,2-5,7-12H2,1H3
InChIKeyIUJKVABKJRCPGI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.28
Rot. Bonds4

About methyl 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate

methyl 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 69076773) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is methyl 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID69076773
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Namemethyl 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CCCN(CCN2CCCCC2)C1
InChIInChI=1S/C14H24N2O2/c1-18-14(17)13-6-5-9-16(12-13)11-10-15-7-3-2-4-8-15/h6H,2-5,7-12H2,1H3
InChIKeyIUJKVABKJRCPGI-UHFFFAOYSA-N
XLogP1.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate (CID 69076773) is methyl 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=CCCN(CCN2CCCCC2)C1.
What is the InChIKey of methyl 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is IUJKVABKJRCPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-18-14(17)13-6-5-9-16(12-13)11-10-15-7-3-2-4-8-15/h6H,2-5,7-12H2,1H3.
What are the key properties of methyl 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 252.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 69076773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).