tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate

C16H32N2O3 — CID 63585875

IUPACtert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate
SMILESCOCCCNC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O3/c1-13(17-9-7-11-20-5)14-8-6-10-18(12-14)15(19)21-16(2,3)4/h13-14,17H,6-12H2,1-5H3
InChIKeyAMKQOKNZDTYITD-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.65
Rot. Bonds6

About tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate

tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate (PubChem CID 63585875) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate
PubChem CID63585875
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate
SMILESCOCCCNC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O3/c1-13(17-9-7-11-20-5)14-8-6-10-18(12-14)15(19)21-16(2,3)4/h13-14,17H,6-12H2,1-5H3
InChIKeyAMKQOKNZDTYITD-UHFFFAOYSA-N
XLogP2.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[1-(2-aminoethylamino)ethyl]piperidine-1-carboxylate
CID 63586966
tert-butyl 3-[1-(3-methylsulfinylpropylamino)ethyl]piperidine-1-carboxylate
CID 103948359
tert-butyl 3-[1-(2-ethoxyethylamino)ethyl]piperidine-1-carboxylate
CID 63586965
tert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate
CID 82710558
tert-butyl (3R)-3-[(1R)-1-[3-(ethylsulfonylamino)propylamino]ethyl]piperidine-1-carboxylate
CID 97341177
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]ethylamino]acetic acid
CID 63586245
tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate
CID 103460936
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
tert-butyl (3R)-3-[(1S)-1-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]ethyl]piperidine-1-carboxylate
CID 124677669
tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl 3-[1-(ethoxyamino)ethyl]piperidine-1-carboxylate
CID 82709755

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate (CID 63585875) is tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate is COCCCNC(C)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is AMKQOKNZDTYITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-13(17-9-7-11-20-5)14-8-6-10-18(12-14)15(19)21-16(2,3)4/h13-14,17H,6-12H2,1-5H3.
What are the key properties of tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 300.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 63585875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).