tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate

C14H28N2O2 — CID 86329026

IUPACtert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)NC[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-11(2)15-10-12-8-6-7-9-16(12)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3/t12-/m1/s1
InChIKeyNJWZLYJHEPVNKI-GFCCVEGCSA-N
MW256.39 g/mol
LogP2.77
Rot. Bonds3

About tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 86329026) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
PubChem CID86329026
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)NC[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-11(2)15-10-12-8-6-7-9-16(12)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3/t12-/m1/s1
InChIKeyNJWZLYJHEPVNKI-GFCCVEGCSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246836
tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
CID 106633773
tert-butyl 2-[(5-methylhexan-2-ylamino)methyl]piperidine-1-carboxylate
CID 106632952
tert-butyl 2-[(4-methylhexan-2-ylamino)methyl]piperidine-1-carboxylate
CID 106634057
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate
CID 104864390
tert-butyl 2-[3-(propan-2-ylamino)propyl]piperidine-1-carboxylate
CID 71633110
tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246799
tert-butyl 2-[(3-ethylpentan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 106638482
tert-butyl 2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 106638139
tert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate
CID 106632857
tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 103782675

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate (CID 86329026) is tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate is CC(C)NC[C@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is NJWZLYJHEPVNKI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)15-10-12-8-6-7-9-16(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 (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 86329026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).