methyl 4-(ethylamino)piperidine-4-carboxylate

C9H18N2O2 — CID 61244653

IUPACmethyl 4-(ethylamino)piperidine-4-carboxylate
SMILESCCNC1(C(=O)OC)CCNCC1
InChIInChI=1S/C9H18N2O2/c1-3-11-9(8(12)13-2)4-6-10-7-5-9/h10-11H,3-7H2,1-2H3
InChIKeyPZCHTNUUBCYGFK-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.11
Rot. Bonds3

About methyl 4-(ethylamino)piperidine-4-carboxylate

methyl 4-(ethylamino)piperidine-4-carboxylate (PubChem CID 61244653) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 4-(ethylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(ethylamino)piperidine-4-carboxylate
PubChem CID61244653
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 4-(ethylamino)piperidine-4-carboxylate
SMILESCCNC1(C(=O)OC)CCNCC1
InChIInChI=1S/C9H18N2O2/c1-3-11-9(8(12)13-2)4-6-10-7-5-9/h10-11H,3-7H2,1-2H3
InChIKeyPZCHTNUUBCYGFK-UHFFFAOYSA-N
XLogP-0.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(ethylamino)piperidine-4-carboxylate?
The IUPAC name of methyl 4-(ethylamino)piperidine-4-carboxylate (CID 61244653) is methyl 4-(ethylamino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(ethylamino)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-(ethylamino)piperidine-4-carboxylate is CCNC1(C(=O)OC)CCNCC1.
What is the InChIKey of methyl 4-(ethylamino)piperidine-4-carboxylate?
The InChIKey is PZCHTNUUBCYGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-11-9(8(12)13-2)4-6-10-7-5-9/h10-11H,3-7H2,1-2H3.
What are the key properties of methyl 4-(ethylamino)piperidine-4-carboxylate?
methyl 4-(ethylamino)piperidine-4-carboxylate has a molecular weight of 186.25 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(ethylamino)piperidine-4-carboxylate is sourced from PubChem (CID 61244653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).