tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate

C17H34N2O2 — CID 106633773

IUPACtert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
SMILESCCC(NCC1CCCCN1C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C17H34N2O2/c1-7-15(13(2)3)18-12-14-10-8-9-11-19(14)16(20)21-17(4,5)6/h13-15,18H,7-12H2,1-6H3
InChIKeyLPFRAGCJSONKIY-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.80
Rot. Bonds5

About tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate

tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 106633773) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
PubChem CID106633773
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
SMILESCCC(NCC1CCCCN1C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C17H34N2O2/c1-7-15(13(2)3)18-12-14-10-8-9-11-19(14)16(20)21-17(4,5)6/h13-15,18H,7-12H2,1-6H3
InChIKeyLPFRAGCJSONKIY-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 104891938
tert-butyl 2-[(4-methylhexan-2-ylamino)methyl]piperidine-1-carboxylate
CID 106634057
tert-butyl 2-[(3-ethylpentan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 106638482
tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246836
tert-butyl 2-[(2-methylbutylamino)methyl]piperidine-1-carboxylate
CID 106633895
tert-butyl 2-[(5-methylhexan-2-ylamino)methyl]piperidine-1-carboxylate
CID 106632952
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
tert-butyl 2-[[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 104578652
tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate
CID 104864390
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246799

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate (CID 106633773) is tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate is CCC(NCC1CCCCN1C(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is LPFRAGCJSONKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-7-15(13(2)3)18-12-14-10-8-9-11-19(14)16(20)21-17(4,5)6/h13-15,18H,7-12H2,1-6H3.
What are the key properties of tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate?
tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 298.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 106633773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).