ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate

C15H27N3O2 — CID 43792537

IUPACethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCN3CCCC23)CC1
InChIInChI=1S/C15H27N3O2/c1-2-20-15(19)18-9-5-12(6-10-18)16-13-7-11-17-8-3-4-14(13)17/h12-14,16H,2-11H2,1H3
InChIKeyWYSSSPQTMZDGGC-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.43
Rot. Bonds3

About ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate

ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate (PubChem CID 43792537) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate
PubChem CID43792537
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Nameethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CCN3CCCC23)CC1
InChIInChI=1S/C15H27N3O2/c1-2-20-15(19)18-9-5-12(6-10-18)16-13-7-11-17-8-3-4-14(13)17/h12-14,16H,2-11H2,1H3
InChIKeyWYSSSPQTMZDGGC-UHFFFAOYSA-N
XLogP1.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidin-1-yl]-N-methylacetamide
CID 82853286
N-cyclopropyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852848
ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate
CID 65046809
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide
CID 82853124
N-(1-ethylazepan-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 65073555
ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate
CID 43792246
ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate
CID 60899589
tert-butyl 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrrolidine-1-carboxylate
CID 103820870
ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate
CID 84593584
ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate
CID 43791646
ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
CID 112554499
ethyl 4-piperidin-1-ylazepane-1-carboxylate
CID 123362818

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate (CID 43792537) is ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC2CCN3CCCC23)CC1.
What is the InChIKey of ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate?
The InChIKey is WYSSSPQTMZDGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-20-15(19)18-9-5-12(6-10-18)16-13-7-11-17-8-3-4-14(13)17/h12-14,16H,2-11H2,1H3.
What are the key properties of ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate?
ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 43792537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).