tert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate

C18H30N2O3 — CID 106633307

IUPACtert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate
SMILESCC(Cc1ccco1)NCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-14(12-16-9-7-11-22-16)19-13-15-8-5-6-10-20(15)17(21)23-18(2,3)4/h7,9,11,14-15,19H,5-6,8,10,12-13H2,1-4H3
InChIKeyVDCMMEQAXNBOHK-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.59
Rot. Bonds5

About tert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate

tert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate (PubChem CID 106633307) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate
PubChem CID106633307
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate
SMILESCC(Cc1ccco1)NCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-14(12-16-9-7-11-22-16)19-13-15-8-5-6-10-20(15)17(21)23-18(2,3)4/h7,9,11,14-15,19H,5-6,8,10,12-13H2,1-4H3
InChIKeyVDCMMEQAXNBOHK-UHFFFAOYSA-N
XLogP3.59
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate
CID 103782679
tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
CID 97175699
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[[[N-[2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate
CID 111354628
tert-butyl 2-[(5-methylhexan-2-ylamino)methyl]piperidine-1-carboxylate
CID 106632952
tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate
CID 71633671
tert-butyl (2R)-2-[[(1R)-1-(furan-2-yl)ethoxy]methyl]piperidine-1-carboxylate
CID 97175846
tert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175703
tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246799
tert-butyl 2-[(4-methylhexan-2-ylamino)methyl]piperidine-1-carboxylate
CID 106634057
tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate
CID 104864390
tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246836

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate (CID 106633307) is tert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate is CC(Cc1ccco1)NCC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate?
The InChIKey is VDCMMEQAXNBOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-14(12-16-9-7-11-22-16)19-13-15-8-5-6-10-20(15)17(21)23-18(2,3)4/h7,9,11,14-15,19H,5-6,8,10,12-13H2,1-4H3.
What are the key properties of tert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate?
tert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate has a molecular weight of 322.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 106633307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).