(1-methylpiperidin-4-yl)methyl 4-methylpiperidine-4-carboxylate

C14H26N2O2 — CID 144963019

IUPAC(1-methylpiperidin-4-yl)methyl 4-methylpiperidine-4-carboxylate
SMILESCN1CCC(COC(=O)C2(C)CCNCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-14(5-7-15-8-6-14)13(17)18-11-12-3-9-16(2)10-4-12/h12,15H,3-11H2,1-2H3
InChIKeyXZRXJVOADHUPDZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.26
Rot. Bonds3

About (1-methylpiperidin-4-yl)methyl 4-methylpiperidine-4-carboxylate

(1-methylpiperidin-4-yl)methyl 4-methylpiperidine-4-carboxylate (PubChem CID 144963019) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)methyl 4-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)methyl 4-methylpiperidine-4-carboxylate
PubChem CID144963019
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(1-methylpiperidin-4-yl)methyl 4-methylpiperidine-4-carboxylate
SMILESCN1CCC(COC(=O)C2(C)CCNCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-14(5-7-15-8-6-14)13(17)18-11-12-3-9-16(2)10-4-12/h12,15H,3-11H2,1-2H3
InChIKeyXZRXJVOADHUPDZ-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)methyl 4-methylpiperidine-4-carboxylate?
The IUPAC name of (1-methylpiperidin-4-yl)methyl 4-methylpiperidine-4-carboxylate (CID 144963019) is (1-methylpiperidin-4-yl)methyl 4-methylpiperidine-4-carboxylate.
What is the SMILES notation for (1-methylpiperidin-4-yl)methyl 4-methylpiperidine-4-carboxylate?
The canonical SMILES for (1-methylpiperidin-4-yl)methyl 4-methylpiperidine-4-carboxylate is CN1CCC(COC(=O)C2(C)CCNCC2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)methyl 4-methylpiperidine-4-carboxylate?
The InChIKey is XZRXJVOADHUPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(5-7-15-8-6-14)13(17)18-11-12-3-9-16(2)10-4-12/h12,15H,3-11H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl)methyl 4-methylpiperidine-4-carboxylate?
(1-methylpiperidin-4-yl)methyl 4-methylpiperidine-4-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)methyl 4-methylpiperidine-4-carboxylate is sourced from PubChem (CID 144963019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).