methyl 4-(ethylamino)-1-methylpiperidine-4-carboxylate

C10H20N2O2 — CID 60787359

IUPACmethyl 4-(ethylamino)-1-methylpiperidine-4-carboxylate
SMILESCCNC1(C(=O)OC)CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-4-11-10(9(13)14-3)5-7-12(2)8-6-10/h11H,4-8H2,1-3H3
InChIKeyKYBSSOYGVQPSQV-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds3

About methyl 4-(ethylamino)-1-methylpiperidine-4-carboxylate

methyl 4-(ethylamino)-1-methylpiperidine-4-carboxylate (PubChem CID 60787359) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 4-(ethylamino)-1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(ethylamino)-1-methylpiperidine-4-carboxylate
PubChem CID60787359
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 4-(ethylamino)-1-methylpiperidine-4-carboxylate
SMILESCCNC1(C(=O)OC)CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-4-11-10(9(13)14-3)5-7-12(2)8-6-10/h11H,4-8H2,1-3H3
InChIKeyKYBSSOYGVQPSQV-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(ethylamino)-1-methylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-(ethylamino)-1-methylpiperidine-4-carboxylate (CID 60787359) is methyl 4-(ethylamino)-1-methylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(ethylamino)-1-methylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-(ethylamino)-1-methylpiperidine-4-carboxylate is CCNC1(C(=O)OC)CCN(C)CC1.
What is the InChIKey of methyl 4-(ethylamino)-1-methylpiperidine-4-carboxylate?
The InChIKey is KYBSSOYGVQPSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-11-10(9(13)14-3)5-7-12(2)8-6-10/h11H,4-8H2,1-3H3.
What are the key properties of methyl 4-(ethylamino)-1-methylpiperidine-4-carboxylate?
methyl 4-(ethylamino)-1-methylpiperidine-4-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(ethylamino)-1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 60787359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).