tert-butyl 3-[1-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate

C18H34N2O2 — CID 104578118

IUPACtert-butyl 3-[1-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESC=CCCC(C)NC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O2/c1-7-8-10-14(2)19-15(3)16-11-9-12-20(13-16)17(21)22-18(4,5)6/h7,14-16,19H,1,8-13H2,2-6H3
InChIKeySKPYZDYBWOEPHC-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.97
Rot. Bonds6

About tert-butyl 3-[1-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate

tert-butyl 3-[1-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate (PubChem CID 104578118) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl 3-[1-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate
PubChem CID104578118
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl 3-[1-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESC=CCCC(C)NC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O2/c1-7-8-10-14(2)19-15(3)16-11-9-12-20(13-16)17(21)22-18(4,5)6/h7,14-16,19H,1,8-13H2,2-6H3
InChIKeySKPYZDYBWOEPHC-UHFFFAOYSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.97
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 4-amino-4-(prop-2-en-1-yl)piperidine-1-carboxylate
CID 67287394
Tert-butyl 3-amino-3-(prop-2-en-1-yl)piperidine-1-carboxylate
CID 130068053
tert-butyl N-[(1S)-1-(1-pent-4-enoylpiperidin-4-yl)ethyl]carbamate
CID 95614881
tert-butyl (2S,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate
CID 11219718
tert-butyl (2R,3S,6R)-6-methyl-2,3-bis(prop-2-enyl)piperidine-1-carboxylate
CID 134856938
tert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate
CID 162417829
tert-butyl N-[1-(4-methylhexyl)piperidin-4-yl]carbamate
CID 18922129
Tert-butyl 4-(butylamino)-4-ethenylpiperidine-1-carboxylate
CID 23109393
tert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate
CID 54530914
Tert-butyl 4-[butyl(cyclohexylmethylcarbamoyl)amino]-4-ethenylpiperidine-1-carboxylate
CID 67412889
Tert-butyl 3-amino-4-ethenylpiperidine-1-carboxylate
CID 68041799
tert-butyl N-[1-[(4S)-4-methylhexyl]piperidin-4-yl]carbamate
CID 69833110

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate (CID 104578118) is tert-butyl 3-[1-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate is C=CCCC(C)NC(C)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is SKPYZDYBWOEPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-7-8-10-14(2)19-15(3)16-11-9-12-20(13-16)17(21)22-18(4,5)6/h7,14-16,19H,1,8-13H2,2-6H3.
What are the key properties of tert-butyl 3-[1-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 310.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(hex-5-en-2-ylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 104578118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).