tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate

C15H28N2O2 — CID 96995948

IUPACtert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](CNC2CCC2)C1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-9-5-6-12(11-17)10-16-13-7-4-8-13/h12-13,16H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyMQPREJZJJBCJMN-LBPRGKRZSA-N
MW268.40 g/mol
LogP2.78
Rot. Bonds3

About tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate

tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate (PubChem CID 96995948) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate
PubChem CID96995948
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](CNC2CCC2)C1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-9-5-6-12(11-17)10-16-13-7-4-8-13/h12-13,16H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyMQPREJZJJBCJMN-LBPRGKRZSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-[(cyclopent-3-en-1-ylamino)methyl]piperidine-1-carboxylate
CID 115696340
tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate
CID 97172112
tert-butyl 3-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]piperidine-1-carboxylate
CID 103881764
tert-butyl 3-[[(2-hydroxycyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 103680177
tert-butyl (3S)-3-(oxan-4-ylmethylamino)piperidine-1-carboxylate
CID 84592299
tert-butyl 3-[[(4,4-dimethylcycloheptyl)amino]methyl]pyrrolidine-1-carboxylate
CID 107242429
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
tert-butyl 3-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]piperidine-1-carboxylate
CID 103759161
tert-butyl 3-[(piperidin-4-ylamino)methyl]pyrrolidine-1-carboxylate
CID 107242457
tert-butyl (3R)-3-[(oxan-4-ylamino)methyl]pyrrolidine-1-carboxylate
CID 68999639
tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate
CID 165463661
tert-butyl 3-[[(1,1-dioxothian-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 107242420

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate (CID 96995948) is tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](CNC2CCC2)C1.
What is the InChIKey of tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate?
The InChIKey is MQPREJZJJBCJMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-9-5-6-12(11-17)10-16-13-7-4-8-13/h12-13,16H,4-11H2,1-3H3/t12-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate?
tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 96995948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).