tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate

C17H28N2O2S — CID 97175331

IUPACtert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate
SMILESC[C@H](c1cccs1)N(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H28N2O2S/c1-13(15-7-6-12-22-15)18(5)14-8-10-19(11-9-14)16(20)21-17(2,3)4/h6-7,12-14H,8-11H2,1-5H3/t13-/m1/s1
InChIKeyPZTYRAMERJWZSO-CYBMUJFWSA-N
MW324.49 g/mol
LogP4.14
Rot. Bonds3

About tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate

tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate (PubChem CID 97175331) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate
PubChem CID97175331
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Nametert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate
SMILESC[C@H](c1cccs1)N(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H28N2O2S/c1-13(15-7-6-12-22-15)18(5)14-8-10-19(11-9-14)16(20)21-17(2,3)4/h6-7,12-14H,8-11H2,1-5H3/t13-/m1/s1
InChIKeyPZTYRAMERJWZSO-CYBMUJFWSA-N
XLogP4.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate (CID 97175331) is tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate is C[C@H](c1cccs1)N(C)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate?
The InChIKey is PZTYRAMERJWZSO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-13(15-7-6-12-22-15)18(5)14-8-10-19(11-9-14)16(20)21-17(2,3)4/h6-7,12-14H,8-11H2,1-5H3/t13-/m1/s1.
What are the key properties of tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate has a molecular weight of 324.49 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 97175331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).