tert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate

C18H30N2O3 — CID 103698909

IUPACtert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate
SMILESCc1ccoc1CNC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H30N2O3/c1-13-8-10-22-16(13)11-19-14(2)15-7-6-9-20(12-15)17(21)23-18(3,4)5/h8,10,14-15,19H,6-7,9,11-12H2,1-5H3
InChIKeyVORFOWTXPVXNIX-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.71
Rot. Bonds4

About tert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate

tert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate (PubChem CID 103698909) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate
PubChem CID103698909
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate
SMILESCc1ccoc1CNC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H30N2O3/c1-13-8-10-22-16(13)11-19-14(2)15-7-6-9-20(12-15)17(21)23-18(3,4)5/h8,10,14-15,19H,6-7,9,11-12H2,1-5H3
InChIKeyVORFOWTXPVXNIX-UHFFFAOYSA-N
XLogP3.71
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2-aminoethylamino)ethyl]piperidine-1-carboxylate
CID 63586966
tert-butyl N-[2-cyclopentyl-2-[(3-methylfuran-2-yl)methylamino]ethyl]carbamate
CID 106834316
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
tert-butyl 3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]piperidine-1-carboxylate
CID 106394787
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-(2-ethoxyethylamino)ethyl]piperidine-1-carboxylate
CID 63586965
tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate
CID 63585875
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-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate (CID 103698909) is tert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate is Cc1ccoc1CNC(C)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate?
The InChIKey is VORFOWTXPVXNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-13-8-10-22-16(13)11-19-14(2)15-7-6-9-20(12-15)17(21)23-18(3,4)5/h8,10,14-15,19H,6-7,9,11-12H2,1-5H3.
What are the key properties of tert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate has a molecular weight of 322.45 g/mol, XLogP of 3.71, 4 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-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 103698909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).