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

C16H30N2O2 — CID 97173194

IUPACtert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1CCCNC1CC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-12-5-4-7-14(18)8-6-11-17-13-9-10-13/h13-14,17H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyVGTBGMMCKKRPMY-CQSZACIVSA-N
MW282.43 g/mol
LogP3.31
Rot. Bonds5

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

tert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate (PubChem CID 97173194) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate
PubChem CID97173194
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1CCCNC1CC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-12-5-4-7-14(18)8-6-11-17-13-9-10-13/h13-14,17H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyVGTBGMMCKKRPMY-CQSZACIVSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244337
tert-butyl 2-[3-(propan-2-ylamino)propyl]piperidine-1-carboxylate
CID 71633110
tert-butyl (2R)-2-(3-aminopropyl)piperidine-1-carboxylate
CID 34178148
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl (2R)-2-(2-chloroethyl)piperidine-1-carboxylate
CID 129372327
tert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107244434
tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
CID 106636324
tert-butyl 2-(3-chloropropyl)pyrrolidine-1-carboxylate
CID 114293374
tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 65142558
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl 2-[[(4,4-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 106633982
tert-butyl 2-[2-(2-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244617

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate (CID 97173194) is tert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCNC1CC1.
What is the InChIKey of tert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate?
The InChIKey is VGTBGMMCKKRPMY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-12-5-4-7-14(18)8-6-11-17-13-9-10-13/h13-14,17H,4-12H2,1-3H3/t14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate is sourced from PubChem (CID 97173194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).