phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate

C14H20N2O2 — CID 113282998

IUPACphenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate
SMILESCNC1(C)CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-14(15-2)8-10-16(11-9-14)13(17)18-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3
InChIKeyFENXEYLAXOPRJB-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.26
Rot. Bonds2

About phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate

phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate (PubChem CID 113282998) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate
PubChem CID113282998
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namephenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate
SMILESCNC1(C)CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-14(15-2)8-10-16(11-9-14)13(17)18-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3
InChIKeyFENXEYLAXOPRJB-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate?
The IUPAC name of phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate (CID 113282998) is phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate is CNC1(C)CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate?
The InChIKey is FENXEYLAXOPRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(15-2)8-10-16(11-9-14)13(17)18-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3.
What are the key properties of phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate?
phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate is sourced from PubChem (CID 113282998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).