ethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate

C15H30N2O2 — CID 115539031

IUPACethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate
SMILESCCCNCC(C)CN1CCCCC1C(=O)OCC
InChIInChI=1S/C15H30N2O2/c1-4-9-16-11-13(3)12-17-10-7-6-8-14(17)15(18)19-5-2/h13-14,16H,4-12H2,1-3H3
InChIKeyRLBBHEOKHRSTBG-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds8

About ethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate

ethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate (PubChem CID 115539031) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate
PubChem CID115539031
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate
SMILESCCCNCC(C)CN1CCCCC1C(=O)OCC
InChIInChI=1S/C15H30N2O2/c1-4-9-16-11-13(3)12-17-10-7-6-8-14(17)15(18)19-5-2/h13-14,16H,4-12H2,1-3H3
InChIKeyRLBBHEOKHRSTBG-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate
CID 115538768
ethyl 1-(3-amino-2-ethoxypropyl)piperidine-2-carboxylate
CID 115538704
ethyl 1-(3-chloro-2-hydroxypropyl)piperidine-2-carboxylate
CID 112561825
methyl 1-(3-amino-2-methylpropyl)piperidine-2-carboxylate
CID 115533667
ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate
CID 115280563
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280651
ethyl 1-but-2-ynylpiperidine-2-carboxylate
CID 79006426
ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate
CID 78915222
ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 78968925
ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate
CID 66037356
ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate (CID 115539031) is ethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate is CCCNCC(C)CN1CCCCC1C(=O)OCC.
What is the InChIKey of ethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate?
The InChIKey is RLBBHEOKHRSTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-9-16-11-13(3)12-17-10-7-6-8-14(17)15(18)19-5-2/h13-14,16H,4-12H2,1-3H3.
What are the key properties of ethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate?
ethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate is sourced from PubChem (CID 115539031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).