ethyl 4-(2-nitroethyl)piperidine-1-carboxylate

C10H18N2O4 — CID 151186385

IUPACethyl 4-(2-nitroethyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CC[N+](=O)[O-])CC1
InChIInChI=1S/C10H18N2O4/c1-2-16-10(13)11-6-3-9(4-7-11)5-8-12(14)15/h9H,2-8H2,1H3
InChIKeyNFJWRSFJXIYIDY-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.52
Rot. Bonds4

About ethyl 4-(2-nitroethyl)piperidine-1-carboxylate

ethyl 4-(2-nitroethyl)piperidine-1-carboxylate (PubChem CID 151186385) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 4-(2-nitroethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-nitroethyl)piperidine-1-carboxylate
PubChem CID151186385
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameethyl 4-(2-nitroethyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CC[N+](=O)[O-])CC1
InChIInChI=1S/C10H18N2O4/c1-2-16-10(13)11-6-3-9(4-7-11)5-8-12(14)15/h9H,2-8H2,1H3
InChIKeyNFJWRSFJXIYIDY-UHFFFAOYSA-N
XLogP1.52
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis[4-(2-nitroethyl)piperidin-1-yl]methanone
CID 174835884
ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
CID 19748294
ethane;methyl 4-propylpiperidine-1-carboxylate
CID 145047424
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-(phenylsulfanylmethyl)piperidine-1-carboxylate
CID 110672480
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
ethyl 4-[ethyl(methyl)amino]piperidine-1-carboxylate
CID 143591988
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143987210
ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
CID 43196751
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
tert-butyl 4-[2-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 20641747

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-nitroethyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2-nitroethyl)piperidine-1-carboxylate (CID 151186385) is ethyl 4-(2-nitroethyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-nitroethyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-nitroethyl)piperidine-1-carboxylate is CCOC(=O)N1CCC(CC[N+](=O)[O-])CC1.
What is the InChIKey of ethyl 4-(2-nitroethyl)piperidine-1-carboxylate?
The InChIKey is NFJWRSFJXIYIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-16-10(13)11-6-3-9(4-7-11)5-8-12(14)15/h9H,2-8H2,1H3.
What are the key properties of ethyl 4-(2-nitroethyl)piperidine-1-carboxylate?
ethyl 4-(2-nitroethyl)piperidine-1-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-nitroethyl)piperidine-1-carboxylate is sourced from PubChem (CID 151186385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).