tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate

C15H28N2O2 — CID 97172112

IUPACtert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](CCNC2CC2)C1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-10-4-5-12(11-17)8-9-16-13-6-7-13/h12-13,16H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyQCCRXHYQNROSNF-GFCCVEGCSA-N
MW268.40 g/mol
LogP2.78
Rot. Bonds4

About tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate (PubChem CID 97172112) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate
PubChem CID97172112
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](CCNC2CC2)C1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-10-4-5-12(11-17)8-9-16-13-6-7-13/h12-13,16H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyQCCRXHYQNROSNF-GFCCVEGCSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate
CID 103699329
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-[(2-methylcyclopentyl)amino]ethyl]piperidine-1-carboxylate
CID 103748321
tert-butyl 3-[2-(oxan-4-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 103699268
tert-butyl 3-(2-cyclopentylethylamino)azetidine-1-carboxylate
CID 63302686
tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate
CID 96995948
tert-butyl 3-[2-(azepan-4-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107249100
tert-butyl 3-[2-[(1-methylpyrrolidin-3-yl)amino]ethyl]pyrrolidine-1-carboxylate
CID 103748312
tert-butyl (3R)-3-[2-[[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]amino]ethyl]piperidine-1-carboxylate
CID 98214480
tert-butyl 3-[2-[(2-methylthiolan-3-yl)amino]ethyl]piperidine-1-carboxylate
CID 102672140
tert-butyl 3-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107249047

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate (CID 97172112) is tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](CCNC2CC2)C1.
What is the InChIKey of tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is QCCRXHYQNROSNF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-10-4-5-12(11-17)8-9-16-13-6-7-13/h12-13,16H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 97172112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).