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

C17H32N2O2 — CID 115976168

IUPACtert-butyl 3-[1-[(1-methylcyclobutyl)amino]ethyl]piperidine-1-carboxylate
SMILESCC(NC1(C)CCC1)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H32N2O2/c1-13(18-17(5)9-7-10-17)14-8-6-11-19(12-14)15(20)21-16(2,3)4/h13-14,18H,6-12H2,1-5H3
InChIKeyRIFXITMZVKSFDU-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.55
Rot. Bonds3

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

tert-butyl 3-[1-[(1-methylcyclobutyl)amino]ethyl]piperidine-1-carboxylate (PubChem CID 115976168) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 3-[1-[(1-methylcyclobutyl)amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-[(1-methylcyclobutyl)amino]ethyl]piperidine-1-carboxylate
PubChem CID115976168
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 3-[1-[(1-methylcyclobutyl)amino]ethyl]piperidine-1-carboxylate
SMILESCC(NC1(C)CCC1)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H32N2O2/c1-13(18-17(5)9-7-10-17)14-8-6-11-19(12-14)15(20)21-16(2,3)4/h13-14,18H,6-12H2,1-5H3
InChIKeyRIFXITMZVKSFDU-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713
tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 142582802
tert-butyl 3-(1-oxopropan-2-yl)piperidine-1-carboxylate
CID 83912646
tert-butyl 3-[1-(ethoxyamino)ethyl]piperidine-1-carboxylate
CID 82709755
tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 107247336
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]ethylamino]acetic acid
CID 63586245
tert-butyl 3-(1-iodoethyl)piperidine-1-carboxylate
CID 71633205
tert-butyl 3-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]piperidine-1-carboxylate
CID 104956178
tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate
CID 103460936
tert-butyl 3-[1-[(4-hydroxy-3-methylbutan-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 103948438

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[(1-methylcyclobutyl)amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-[(1-methylcyclobutyl)amino]ethyl]piperidine-1-carboxylate (CID 115976168) is tert-butyl 3-[1-[(1-methylcyclobutyl)amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-[(1-methylcyclobutyl)amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-[(1-methylcyclobutyl)amino]ethyl]piperidine-1-carboxylate is CC(NC1(C)CCC1)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-[(1-methylcyclobutyl)amino]ethyl]piperidine-1-carboxylate?
The InChIKey is RIFXITMZVKSFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13(18-17(5)9-7-10-17)14-8-6-11-19(12-14)15(20)21-16(2,3)4/h13-14,18H,6-12H2,1-5H3.
What are the key properties of tert-butyl 3-[1-[(1-methylcyclobutyl)amino]ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-[(1-methylcyclobutyl)amino]ethyl]piperidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-[(1-methylcyclobutyl)amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 115976168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).