tert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate

C14H26N2O2 — CID 83919917

IUPACtert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)CC1C1CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-7-6-10(9-15)8-12(16)11-4-5-11/h10-12H,4-9,15H2,1-3H3
InChIKeyBTRIMTVHRBPUKJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.37
Rot. Bonds2

About tert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate

tert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate (PubChem CID 83919917) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate
PubChem CID83919917
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)CC1C1CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-7-6-10(9-15)8-12(16)11-4-5-11/h10-12H,4-9,15H2,1-3H3
InChIKeyBTRIMTVHRBPUKJ-UHFFFAOYSA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-amino-2-cyclopropylpiperidine-1-carboxylate
CID 84800567
tert-butyl 5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
CID 135394930
(2S,4S)-2-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 146148517
2-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 83903170
tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate
CID 91798850
tert-butyl (2S,3R)-2-(aminomethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 96611141
tert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate
CID 141078982
tert-butyl (3R)-3-cyclopropylthiomorpholine-4-carboxylate
CID 129379273
tert-butyl 6-methylsulfonyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxylate
CID 53385276
tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate
CID 84804762
tert-butyl 4-(2-aminoethyl)-2-ethylpiperidine-1-carboxylate
CID 84805351
tert-butyl (2R)-2-[(2S)-oxiran-2-yl]azetidine-1-carboxylate
CID 58697632

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate (CID 83919917) is tert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CN)CC1C1CC1.
What is the InChIKey of tert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate?
The InChIKey is BTRIMTVHRBPUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-7-6-10(9-15)8-12(16)11-4-5-11/h10-12H,4-9,15H2,1-3H3.
What are the key properties of tert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate?
tert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(aminomethyl)-2-cyclopropylpiperidine-1-carboxylate is sourced from PubChem (CID 83919917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).