methyl 1-piperidin-1-ylpiperidine-4-carboxylate

C12H22N2O2 — CID 20696532

IUPACmethyl 1-piperidin-1-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(N2CCCCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-16-12(15)11-5-9-14(10-6-11)13-7-3-2-4-8-13/h11H,2-10H2,1H3
InChIKeyTYWNYFKLHIDSRL-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.27
Rot. Bonds2

About methyl 1-piperidin-1-ylpiperidine-4-carboxylate

methyl 1-piperidin-1-ylpiperidine-4-carboxylate (PubChem CID 20696532) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl 1-piperidin-1-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-piperidin-1-ylpiperidine-4-carboxylate
PubChem CID20696532
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namemethyl 1-piperidin-1-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(N2CCCCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-16-12(15)11-5-9-14(10-6-11)13-7-3-2-4-8-13/h11H,2-10H2,1H3
InChIKeyTYWNYFKLHIDSRL-UHFFFAOYSA-N
XLogP1.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-piperidin-1-ylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-piperidin-1-ylpiperidine-4-carboxylate (CID 20696532) is methyl 1-piperidin-1-ylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-piperidin-1-ylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-piperidin-1-ylpiperidine-4-carboxylate is COC(=O)C1CCN(N2CCCCC2)CC1.
What is the InChIKey of methyl 1-piperidin-1-ylpiperidine-4-carboxylate?
The InChIKey is TYWNYFKLHIDSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-12(15)11-5-9-14(10-6-11)13-7-3-2-4-8-13/h11H,2-10H2,1H3.
What are the key properties of methyl 1-piperidin-1-ylpiperidine-4-carboxylate?
methyl 1-piperidin-1-ylpiperidine-4-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-piperidin-1-ylpiperidine-4-carboxylate is sourced from PubChem (CID 20696532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).