tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate

C17H34N2O2 — CID 103782880

IUPACtert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESCCCC(C)NCCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-6-8-14(2)18-11-10-15-9-7-12-19(13-15)16(20)21-17(3,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyHAJVJKVRLADINR-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.80
Rot. Bonds6

About tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate

tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate (PubChem CID 103782880) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate
PubChem CID103782880
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate
SMILESCCCC(C)NCCC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-6-8-14(2)18-11-10-15-9-7-12-19(13-15)16(20)21-17(3,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyHAJVJKVRLADINR-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 3-[2-(5,5-dimethylhexan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 114279953
tert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103782879
tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 104530942
tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate
CID 97172112
tert-butyl 3-[2-(2-methylpentan-3-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 103782504
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethylamino]propanoic acid
CID 107249114
tert-butyl 3-[2-(1-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107249105
tert-butyl (3R)-3-(propylaminomethyl)piperidine-1-carboxylate
CID 165463661
tert-butyl 3-[2-(1-cyclopropylpropylamino)ethyl]pyrrolidine-1-carboxylate
CID 103782522
tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate
CID 71635386
tert-butyl 3-[(1-aminopropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246551
tert-butyl 3-(2-iodoethyl)piperidine-1-carboxylate
CID 10088547

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate (CID 103782880) is tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate is CCCC(C)NCCC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is HAJVJKVRLADINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-8-14(2)18-11-10-15-9-7-12-19(13-15)16(20)21-17(3,4)5/h14-15,18H,6-13H2,1-5H3.
What are the key properties of tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 298.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(pentan-2-ylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 103782880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).