tert-butyl 4-(2-aminoethyl)-3-cyclopentylpiperidine-1-carboxylate

C17H32N2O2 — CID 84815717

IUPACtert-butyl 4-(2-aminoethyl)-3-cyclopentylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCN)C(C2CCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-11-9-14(8-10-18)15(12-19)13-6-4-5-7-13/h13-15H,4-12,18H2,1-3H3
InChIKeyCFRPDZLPBWZXKF-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.40
Rot. Bonds3

About tert-butyl 4-(2-aminoethyl)-3-cyclopentylpiperidine-1-carboxylate

tert-butyl 4-(2-aminoethyl)-3-cyclopentylpiperidine-1-carboxylate (PubChem CID 84815717) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 4-(2-aminoethyl)-3-cyclopentylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-aminoethyl)-3-cyclopentylpiperidine-1-carboxylate
PubChem CID84815717
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 4-(2-aminoethyl)-3-cyclopentylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCN)C(C2CCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-11-9-14(8-10-18)15(12-19)13-6-4-5-7-13/h13-15H,4-12,18H2,1-3H3
InChIKeyCFRPDZLPBWZXKF-UHFFFAOYSA-N
XLogP3.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(aminomethyl)-3-cyclopropylpiperidine-1-carboxylate
CID 84804780
tert-butyl 3-(aminomethyl)-4-cyclohexylpyrrolidine-1-carboxylate
CID 84812489
tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate
CID 84812486
tert-butyl 3-(aminomethyl)-4-cyclopropylpiperidine-1-carboxylate
CID 83919927
tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate
CID 155905077
tert-butyl 4-cyclopentyl-3-methylpiperidine-1-carboxylate
CID 167461657
tert-butyl 3-(2-aminoethyl)azepane-1-carboxylate
CID 83488042
tert-butyl 4-(aminomethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 82380907
tert-butyl 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 63788488
tert-butyl 4-cyclopentyl-3-methylpiperidine-1-carboxylate;propane-2,2-diol
CID 167461656
tert-butyl 4-(aminomethyl)-5-methylazepane-1-carboxylate
CID 84801702
tert-butyl 3-[(1S,2R)-2-aminocyclopropyl]piperidine-1-carboxylate
CID 165489343

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-aminoethyl)-3-cyclopentylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-aminoethyl)-3-cyclopentylpiperidine-1-carboxylate (CID 84815717) is tert-butyl 4-(2-aminoethyl)-3-cyclopentylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-aminoethyl)-3-cyclopentylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-aminoethyl)-3-cyclopentylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCN)C(C2CCCC2)C1.
What is the InChIKey of tert-butyl 4-(2-aminoethyl)-3-cyclopentylpiperidine-1-carboxylate?
The InChIKey is CFRPDZLPBWZXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-11-9-14(8-10-18)15(12-19)13-6-4-5-7-13/h13-15H,4-12,18H2,1-3H3.
What are the key properties of tert-butyl 4-(2-aminoethyl)-3-cyclopentylpiperidine-1-carboxylate?
tert-butyl 4-(2-aminoethyl)-3-cyclopentylpiperidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-aminoethyl)-3-cyclopentylpiperidine-1-carboxylate is sourced from PubChem (CID 84815717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).