methyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate

C12H22N2O2 — CID 114509064

IUPACmethyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate
SMILESCCC1CNCCC1(NC1CC1)C(=O)OC
InChIInChI=1S/C12H22N2O2/c1-3-9-8-13-7-6-12(9,11(15)16-2)14-10-4-5-10/h9-10,13-14H,3-8H2,1-2H3
InChIKeyJXWWPBKNWPTYNT-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.67
Rot. Bonds4

About methyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate

methyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate (PubChem CID 114509064) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate
PubChem CID114509064
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namemethyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate
SMILESCCC1CNCCC1(NC1CC1)C(=O)OC
InChIInChI=1S/C12H22N2O2/c1-3-9-8-13-7-6-12(9,11(15)16-2)14-10-4-5-10/h9-10,13-14H,3-8H2,1-2H3
InChIKeyJXWWPBKNWPTYNT-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate (CID 114509064) is methyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate is CCC1CNCCC1(NC1CC1)C(=O)OC.
What is the InChIKey of methyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate?
The InChIKey is JXWWPBKNWPTYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-9-8-13-7-6-12(9,11(15)16-2)14-10-4-5-10/h9-10,13-14H,3-8H2,1-2H3.
What are the key properties of methyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate?
methyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate is sourced from PubChem (CID 114509064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).