tert-butyl 4-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]piperidine-1-carboxylate

C16H30N2O2 — CID 178197756

IUPACtert-butyl 4-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@H]2[C@H](CN)C2(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-12(10-17)16(13,4)5/h11-13H,6-10,17H2,1-5H3/t12-,13-/m0/s1
InChIKeyLAHGXTBWERSIPS-STQMWFEESA-N
MW282.43 g/mol
LogP2.86
Rot. Bonds2

About tert-butyl 4-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]piperidine-1-carboxylate

tert-butyl 4-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]piperidine-1-carboxylate (PubChem CID 178197756) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl 4-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]piperidine-1-carboxylate
PubChem CID178197756
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl 4-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@H]2[C@H](CN)C2(C)C)CC1
InChIInChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-12(10-17)16(13,4)5/h11-13H,6-10,17H2,1-5H3/t12-,13-/m0/s1
InChIKeyLAHGXTBWERSIPS-STQMWFEESA-N
XLogP2.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(aminomethyl)-5-methylazepane-1-carboxylate
CID 84801702
tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate
CID 115047873
tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate
CID 97289962
tert-butyl 3-(aminomethyl)-4-cyclopropylpiperidine-1-carboxylate
CID 83919927
tert-butyl 4-(aminomethyl)-3-cyclopropylpiperidine-1-carboxylate
CID 84804780
tert-butyl 4-[3-(aminomethyl)azetidin-1-yl]piperidine-1-carboxylate
CID 45072279
tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate
CID 58128555
tert-butyl 4-aminosulfanylpiperidine-1-carboxylate
CID 135202849
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride
CID 54759044
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]piperidine-1-carboxylate (CID 178197756) is tert-butyl 4-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC([C@H]2[C@H](CN)C2(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]piperidine-1-carboxylate?
The InChIKey is LAHGXTBWERSIPS-STQMWFEESA-N. The full InChI is InChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-12(10-17)16(13,4)5/h11-13H,6-10,17H2,1-5H3/t12-,13-/m0/s1.
What are the key properties of tert-butyl 4-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]piperidine-1-carboxylate?
tert-butyl 4-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]piperidine-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 178197756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).