tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine

C165H335N17O12 — CID 159517276

IUPACtert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine
SMILESCC(C)C1CCCCN1.CC(C)C1CCCCN1C.CC(C)C1CCCCN1C(=O)OC(C)(C)C.CC(C)C1CCCN(C(=O)OC(C)(C)C)C1.CC(C)C1CCCN(C)C1.CC(C)C1CCCNC1.CCC1CCCCN1.CCC1CCCCN1C.CCC1CCCCN1C(=O)OC(C)(C)C.CCC1CCCN(C(=O)OC(C)(C)C)C1.CCC1CCCN(C)C1.CCC1CCCNC1.CCCC1CCCCN1.CCCC1CCCCN1C.CCCC1CCCCN1C(=O)OC(C)(C)C.CCCC1CCCN(C(=O)OC(C)(C)C)C1.CCCC1CCCNC1
InChIInChI=1S/4C13H25NO2.2C12H23NO2.3C9H19N.6C8H17N.2C7H15N/c1-10(2)11-7-6-8-14(9-11)12(15)16-13(3,4)5;1-10(2)11-8-6-7-9-14(11)12(15)16-13(3,4)5;1-5-8-11-9-6-7-10-14(11)12(15)16-13(2,3)4;1-5-7-11-8-6-9-14(10-11)12(15)16-13(2,3)4;1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4;1-5-10-8-6-7-9-13(10)11(14)15-12(2,3)4;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;1-3-6-9-7-4-5-8-10(9)2;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-3-8-5-4-6-9(2)7-8;1-3-8-6-4-5-7-9(8)2;1-2-5-8-6-3-4-7-9-8;1-2-4-8-5-3-6-9-7-8;1-2-7-4-3-5-8-6-7;1-2-7-5-3-4-6-8-7/h2*10-11H,6-9H2,1-5H3;2*11H,5-10H2,1-4H3;2*10H,5-9H2,1-4H3;2*8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;2*7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;2*8-9H,2-7H2,1H3;2*7-8H,2-6H2,1H3
InChIKeyMBIYYQJIROWLEE-UHFFFAOYSA-N
MW2749.60 g/mol
LogP40.04
Rot. Bonds22

About tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine

tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine (PubChem CID 159517276) has the molecular formula C165H335N17O12 and a molecular weight of 2749.60 g/mol. Its IUPAC name is tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine.

Molecular Properties

Compound Nametert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine
PubChem CID159517276
Molecular FormulaC165H335N17O12
Molecular Weight2749.60 g/mol
Exact Mass2747.61
IUPAC Nametert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine
SMILESCC(C)C1CCCCN1.CC(C)C1CCCCN1C.CC(C)C1CCCCN1C(=O)OC(C)(C)C.CC(C)C1CCCN(C(=O)OC(C)(C)C)C1.CC(C)C1CCCN(C)C1.CC(C)C1CCCNC1.CCC1CCCCN1.CCC1CCCCN1C.CCC1CCCCN1C(=O)OC(C)(C)C.CCC1CCCN(C(=O)OC(C)(C)C)C1.CCC1CCCN(C)C1.CCC1CCCNC1.CCCC1CCCCN1.CCCC1CCCCN1C.CCCC1CCCCN1C(=O)OC(C)(C)C.CCCC1CCCN(C(=O)OC(C)(C)C)C1.CCCC1CCCNC1
InChIInChI=1S/4C13H25NO2.2C12H23NO2.3C9H19N.6C8H17N.2C7H15N/c1-10(2)11-7-6-8-14(9-11)12(15)16-13(3,4)5;1-10(2)11-8-6-7-9-14(11)12(15)16-13(3,4)5;1-5-8-11-9-6-7-10-14(11)12(15)16-13(2,3)4;1-5-7-11-8-6-9-14(10-11)12(15)16-13(2,3)4;1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4;1-5-10-8-6-7-9-13(10)11(14)15-12(2,3)4;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;1-3-6-9-7-4-5-8-10(9)2;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-3-8-5-4-6-9(2)7-8;1-3-8-6-4-5-7-9(8)2;1-2-5-8-6-3-4-7-9-8;1-2-4-8-5-3-6-9-7-8;1-2-7-4-3-5-8-6-7;1-2-7-5-3-4-6-8-7/h2*10-11H,6-9H2,1-5H3;2*11H,5-10H2,1-4H3;2*10H,5-9H2,1-4H3;2*8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;2*7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;2*8-9H,2-7H2,1H3;2*7-8H,2-6H2,1H3
InChIKeyMBIYYQJIROWLEE-UHFFFAOYSA-N
XLogP40.04
TPSA265.62 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms194
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002749.60
LogP ≤ 540.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine?
The IUPAC name of tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine (CID 159517276) is tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine.
What is the SMILES notation for tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine?
The canonical SMILES for tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine is CC(C)C1CCCCN1.CC(C)C1CCCCN1C.CC(C)C1CCCCN1C(=O)OC(C)(C)C.CC(C)C1CCCN(C(=O)OC(C)(C)C)C1.CC(C)C1CCCN(C)C1.CC(C)C1CCCNC1.CCC1CCCCN1.CCC1CCCCN1C.CCC1CCCCN1C(=O)OC(C)(C)C.CCC1CCCN(C(=O)OC(C)(C)C)C1.CCC1CCCN(C)C1.CCC1CCCNC1.CCCC1CCCCN1.CCCC1CCCCN1C.CCCC1CCCCN1C(=O)OC(C)(C)C.CCCC1CCCN(C(=O)OC(C)(C)C)C1.CCCC1CCCNC1.
What is the InChIKey of tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine?
The InChIKey is MBIYYQJIROWLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H25NO2.2C12H23NO2.3C9H19N.6C8H17N.2C7H15N/c1-10(2)11-7-6-8-14(9-11)12(15)16-13(3,4)5;1-10(2)11-8-6-7-9-14(11)12(15)16-13(3,4)5;1-5-8-11-9-6-7-10-14(11)12(15)16-13(2,3)4;1-5-7-11-8-6-9-14(10-11)12(15)16-13(2,3)4;1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4;1-5-10-8-6-7-9-13(10)11(14)15-12(2,3)4;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;1-3-6-9-7-4-5-8-10(9)2;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-3-8-5-4-6-9(2)7-8;1-3-8-6-4-5-7-9(8)2;1-2-5-8-6-3-4-7-9-8;1-2-4-8-5-3-6-9-7-8;1-2-7-4-3-5-8-6-7;1-2-7-5-3-4-6-8-7/h2*10-11H,6-9H2,1-5H3;2*11H,5-10H2,1-4H3;2*10H,5-9H2,1-4H3;2*8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;2*7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;2*8-9H,2-7H2,1H3;2*7-8H,2-6H2,1H3.
What are the key properties of tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine?
tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine has a molecular weight of 2749.60 g/mol, XLogP of 40.04, 22 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethylpiperidine-1-carboxylate;tert-butyl 3-ethylpiperidine-1-carboxylate;tert-butyl 2-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpiperidine-1-carboxylate;tert-butyl 2-propylpiperidine-1-carboxylate;tert-butyl 3-propylpiperidine-1-carboxylate;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;2-ethylpiperidine;3-ethylpiperidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-2-propylpiperidine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;2-propylpiperidine;3-propylpiperidine is sourced from PubChem (CID 159517276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).