2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate

C12H24N2O2 — CID 79337921

IUPAC2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate
SMILESCCCNCCOC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H24N2O2/c1-3-6-13-7-10-16-12(15)14-8-4-11(2)5-9-14/h11,13H,3-10H2,1-2H3
InChIKeyFBDMNAYJXTXLHG-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.85
Rot. Bonds5

About 2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate

2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate (PubChem CID 79337921) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate
PubChem CID79337921
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate
SMILESCCCNCCOC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H24N2O2/c1-3-6-13-7-10-16-12(15)14-8-4-11(2)5-9-14/h11,13H,3-10H2,1-2H3
InChIKeyFBDMNAYJXTXLHG-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide
CID 79163549
3-bromopropyl 4-methylpiperidine-1-carboxylate
CID 103970714
but-3-ynyl 4-methylpiperidine-1-carboxylate
CID 89002890
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
propyl 4-sulfanylpiperidine-1-carboxylate
CID 142541970
2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate
CID 142542047
butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 151751894
ethyl 4-[[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108942733
butyl 4-bromopiperidine-1-carboxylate
CID 21219163
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate?
The IUPAC name of 2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate (CID 79337921) is 2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for 2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate?
The canonical SMILES for 2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate is CCCNCCOC(=O)N1CCC(C)CC1.
What is the InChIKey of 2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate?
The InChIKey is FBDMNAYJXTXLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-6-13-7-10-16-12(15)14-8-4-11(2)5-9-14/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate?
2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 79337921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).