ethyl 4-[3-(oxolan-3-yl)propylamino]piperidine-1-carboxylate

C15H28N2O3 — CID 50968207

IUPACethyl 4-[3-(oxolan-3-yl)propylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCCC2CCOC2)CC1
InChIInChI=1S/C15H28N2O3/c1-2-20-15(18)17-9-5-14(6-10-17)16-8-3-4-13-7-11-19-12-13/h13-14,16H,2-12H2,1H3
InChIKeyGQWSKPPXWZAVTL-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.01
Rot. Bonds6

About ethyl 4-[3-(oxolan-3-yl)propylamino]piperidine-1-carboxylate

ethyl 4-[3-(oxolan-3-yl)propylamino]piperidine-1-carboxylate (PubChem CID 50968207) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 4-[3-(oxolan-3-yl)propylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(oxolan-3-yl)propylamino]piperidine-1-carboxylate
PubChem CID50968207
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 4-[3-(oxolan-3-yl)propylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCCC2CCOC2)CC1
InChIInChI=1S/C15H28N2O3/c1-2-20-15(18)17-9-5-14(6-10-17)16-8-3-4-13-7-11-19-12-13/h13-14,16H,2-12H2,1H3
InChIKeyGQWSKPPXWZAVTL-UHFFFAOYSA-N
XLogP2.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.01
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 3-(1-aminoethyl)piperidine-1-carboxylate
CID 64028995
Tert-butyl 3-(morpholin-3-yl)pyrrolidine-1-carboxylate
CID 82665350
Tert-butyl 4-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 105511886
Tert-butyl 3-(oxolan-3-yl)piperazine-1-carboxylate
CID 165830974
Tert-butyl 3-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 46835582
cyclopentylmethyl N-piperidin-4-ylcarbamate
CID 15676973
cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate
CID 18372793
4-Amino-1-carbethoxy-3-ethylpiperidine
CID 22278866
1-Carbethoxy-4-methylamino-3-ethylpiperidine
CID 22278883
Tert-butyl 3-(oxan-4-ylmethyl)piperazine-1-carboxylate
CID 66582607
(S)-tert-butyl 3-((tetrahydro-2H-pyran-4-yl)methyl)piperazine-1-carboxylate
CID 66583035
2-Piperidin-3-ylethyl pyrrolidine-1-carboxylate
CID 67294035

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(oxolan-3-yl)propylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(oxolan-3-yl)propylamino]piperidine-1-carboxylate (CID 50968207) is ethyl 4-[3-(oxolan-3-yl)propylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(oxolan-3-yl)propylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(oxolan-3-yl)propylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCCC2CCOC2)CC1.
What is the InChIKey of ethyl 4-[3-(oxolan-3-yl)propylamino]piperidine-1-carboxylate?
The InChIKey is GQWSKPPXWZAVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-20-15(18)17-9-5-14(6-10-17)16-8-3-4-13-7-11-19-12-13/h13-14,16H,2-12H2,1H3.
What are the key properties of ethyl 4-[3-(oxolan-3-yl)propylamino]piperidine-1-carboxylate?
ethyl 4-[3-(oxolan-3-yl)propylamino]piperidine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(oxolan-3-yl)propylamino]piperidine-1-carboxylate is sourced from PubChem (CID 50968207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).