tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate

C18H30N2O2S — CID 103730198

IUPACtert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate
SMILESCCC(NCC1CCN(C(=O)OC(C)(C)C)CC1)c1cccs1
InChIInChI=1S/C18H30N2O2S/c1-5-15(16-7-6-12-23-16)19-13-14-8-10-20(11-9-14)17(21)22-18(2,3)4/h6-7,12,14-15,19H,5,8-11,13H2,1-4H3
InChIKeyYUEGAQORHKVVQD-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.44
Rot. Bonds5

About tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate

tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate (PubChem CID 103730198) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate
PubChem CID103730198
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC Nametert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate
SMILESCCC(NCC1CCN(C(=O)OC(C)(C)C)CC1)c1cccs1
InChIInChI=1S/C18H30N2O2S/c1-5-15(16-7-6-12-23-16)19-13-14-8-10-20(11-9-14)17(21)22-18(2,3)4/h6-7,12,14-15,19H,5,8-11,13H2,1-4H3
InChIKeyYUEGAQORHKVVQD-UHFFFAOYSA-N
XLogP4.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(1-thiophen-2-ylpropylamino)methyl]pyrrolidine-1-carboxylate
CID 103782677
tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate
CID 63303145
tert-butyl 3-(1-thiophen-2-ylpropylamino)azepane-1-carboxylate
CID 107249327
phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone
CID 124738417
tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate
CID 97175331
tert-butyl 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]piperidine-1-carboxylate
CID 113257732
tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate
CID 2810469
tert-butyl 4-[(2-thiophen-2-ylethylamino)methyl]piperidine-1-carboxylate
CID 103730080
tert-butyl 4-[[(2-oxo-2-thiophen-2-ylethyl)amino]methyl]piperidine-1-carboxylate
CID 71630218
tert-butyl 4-[[1-(4-methoxyphenyl)ethylamino]methyl]piperidine-1-carboxylate
CID 113250404
tert-butyl 4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175773
tert-butyl 4-[2-phenyl-2-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxylate
CID 137373194

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate (CID 103730198) is tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate is CCC(NCC1CCN(C(=O)OC(C)(C)C)CC1)c1cccs1.
What is the InChIKey of tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate?
The InChIKey is YUEGAQORHKVVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-5-15(16-7-6-12-23-16)19-13-14-8-10-20(11-9-14)17(21)22-18(2,3)4/h6-7,12,14-15,19H,5,8-11,13H2,1-4H3.
What are the key properties of tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate has a molecular weight of 338.52 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103730198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).