tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate

C17H32N2O2 — CID 107246799

IUPACtert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate
SMILESC=CCCC(C)NCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-6-7-10-14(2)18-13-15-11-8-9-12-19(15)16(20)21-17(3,4)5/h6,14-15,18H,1,7-13H2,2-5H3
InChIKeyHQNITBCLKBSWMF-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.72
Rot. Bonds6

About tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate

tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 107246799) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate
PubChem CID107246799
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate
SMILESC=CCCC(C)NCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-6-7-10-14(2)18-13-15-11-8-9-12-19(15)16(20)21-17(3,4)5/h6,14-15,18H,1,7-13H2,2-5H3
InChIKeyHQNITBCLKBSWMF-UHFFFAOYSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[(5-methylhexan-2-ylamino)methyl]piperidine-1-carboxylate
CID 106632952
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate
CID 104864390
tert-butyl 2-[(4-methylhexan-2-ylamino)methyl]piperidine-1-carboxylate
CID 106634057
tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 103782675
tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246836
tert-butyl 3-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate
CID 104582153
tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
CID 106633773
tert-butyl 2-[2-[(1-methylpiperidin-3-yl)methylamino]propyl]piperidine-1-carboxylate
CID 113248692
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate
CID 113248702
tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate
CID 103723941

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate (CID 107246799) is tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate is C=CCCC(C)NCC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is HQNITBCLKBSWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-6-7-10-14(2)18-13-15-11-8-9-12-19(15)16(20)21-17(3,4)5/h6,14-15,18H,1,7-13H2,2-5H3.
What are the key properties of tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate?
tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 107246799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).