tert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate

C19H36N2O2 — CID 103699329

IUPACtert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate
SMILESCCC1CCC(NCCC2CCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C19H36N2O2/c1-5-15-8-9-17(13-15)20-11-10-16-7-6-12-21(14-16)18(22)23-19(2,3)4/h15-17,20H,5-14H2,1-4H3
InChIKeyGQBKEBZZMJACMM-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.19
Rot. Bonds5

About tert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate

tert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate (PubChem CID 103699329) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is tert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate
PubChem CID103699329
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nametert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate
SMILESCCC1CCC(NCCC2CCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C19H36N2O2/c1-5-15-8-9-17(13-15)20-11-10-16-7-6-12-21(14-16)18(22)23-19(2,3)4/h15-17,20H,5-14H2,1-4H3
InChIKeyGQBKEBZZMJACMM-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate
CID 97172112
tert-butyl 3-[2-[(3-aminocyclohexyl)amino]ethyl]piperidine-1-carboxylate
CID 107249788
tert-butyl 3-[2-(thiolan-3-ylamino)ethyl]piperidine-1-carboxylate
CID 103782872
tert-butyl 3-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107249047
tert-butyl 3-[2-[(2-methylcyclopentyl)amino]ethyl]piperidine-1-carboxylate
CID 103748321
tert-butyl 3-(2-cyclopentylethylamino)azetidine-1-carboxylate
CID 63302686
tert-butyl 3-ethylazepane-1-carboxylate
CID 118248120
tert-butyl 3-[2-[(1-methylpyrrolidin-3-yl)amino]ethyl]pyrrolidine-1-carboxylate
CID 103748312
tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103782880
tert-butyl 3-[2-[(2-methylthiolan-3-yl)amino]ethyl]piperidine-1-carboxylate
CID 102672140
tert-butyl 3-[2-(oxan-4-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 103699268
tert-butyl 3-(2-iodoethyl)piperidine-1-carboxylate
CID 10088547

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate (CID 103699329) is tert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate is CCC1CCC(NCCC2CCCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate?
The InChIKey is GQBKEBZZMJACMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-5-15-8-9-17(13-15)20-11-10-16-7-6-12-21(14-16)18(22)23-19(2,3)4/h15-17,20H,5-14H2,1-4H3.
What are the key properties of tert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate?
tert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate has a molecular weight of 324.51 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 103699329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).