tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate

C17H28N2O3 — CID 97175699

IUPACtert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
SMILESC[C@H](NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C17H28N2O3/c1-13(15-9-7-11-21-15)18-12-14-8-5-6-10-19(14)16(20)22-17(2,3)4/h7,9,11,13-14,18H,5-6,8,10,12H2,1-4H3/t13-,14-/m0/s1
InChIKeyBYNXZROUDABZRP-KBPBESRZSA-N
MW308.42 g/mol
LogP3.72
Rot. Bonds4

About tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 97175699) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
PubChem CID97175699
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
SMILESC[C@H](NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C17H28N2O3/c1-13(15-9-7-11-21-15)18-12-14-8-5-6-10-19(14)16(20)22-17(2,3)4/h7,9,11,13-14,18H,5-6,8,10,12H2,1-4H3/t13-,14-/m0/s1
InChIKeyBYNXZROUDABZRP-KBPBESRZSA-N
XLogP3.72
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate
CID 106633307
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 (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate
CID 103782679
tert-butyl 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 107093651
tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate
CID 97071886
tert-butyl (3S)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 97175747
tert-butyl (2R)-2-[[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
CID 86331293
tert-butyl 2-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 103822890
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81403117

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate (CID 97175699) is tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate is C[C@H](NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccco1.
What is the InChIKey of tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is BYNXZROUDABZRP-KBPBESRZSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13(15-9-7-11-21-15)18-12-14-8-5-6-10-19(14)16(20)22-17(2,3)4/h7,9,11,13-14,18H,5-6,8,10,12H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 308.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 97175699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).