tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate

C14H28N2O2 — CID 53256504

IUPACtert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
SMILESCC(C)CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-11(2)9-15-12-7-6-8-16(10-12)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3/t12-/m1/s1
InChIKeyIYSSNDNZJKNZSX-GFCCVEGCSA-N
MW256.39 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate

tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate (PubChem CID 53256504) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
PubChem CID53256504
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
SMILESCC(C)CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-11(2)9-15-12-7-6-8-16(10-12)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3/t12-/m1/s1
InChIKeyIYSSNDNZJKNZSX-GFCCVEGCSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(2-ethylbutylamino)azepane-1-carboxylate
CID 107249438
tert-butyl (3R)-3-(prop-2-ynylamino)azepane-1-carboxylate
CID 164579162
tert-butyl 3-(4-hydroxybutylamino)piperidine-1-carboxylate
CID 106840867
tert-butyl (3S)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311882
tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311884
tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
CID 53256453
tert-butyl 3-(2-carbamoyloxyethylamino)piperidine-1-carboxylate
CID 83211355
tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate
CID 82944881
tert-butyl (3S)-3-(oxan-4-ylmethylamino)piperidine-1-carboxylate
CID 84592299
tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate
CID 103949538
tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate (CID 53256504) is tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate is CC(C)CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate?
The InChIKey is IYSSNDNZJKNZSX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)9-15-12-7-6-8-16(10-12)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate?
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate is sourced from PubChem (CID 53256504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).