4-tert-butyl-1-methylpiperidine;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(4-tert-butylpiperidin-1-yl)ethanone;3-(4-tert-butylpiperidin-1-yl)propanenitrile;4-tert-butyl-1-propylpiperidine;4-methyl-3-propan-2-ylpyridine

C65H125N7O2 — CID 167619742

IUPAC4-tert-butyl-1-methylpiperidine;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(4-tert-butylpiperidin-1-yl)ethanone;3-(4-tert-butylpiperidin-1-yl)propanenitrile;4-tert-butyl-1-propylpiperidine;4-methyl-3-propan-2-ylpyridine
SMILESCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C1CCN(CCC#N)CC1.CC(C)(C)C1CCN(CCO)CC1.CCCN1CCC(C(C)(C)C)CC1.CN1CCC(C(C)(C)C)CC1.Cc1ccncc1C(C)C
InChIInChI=1S/C12H22N2.C12H25N.C11H21NO.C11H23NO.C10H21N.C9H13N/c1-12(2,3)11-5-9-14(10-6-11)8-4-7-13;1-5-8-13-9-6-11(7-10-13)12(2,3)4;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-11(2,3)10-4-6-12(7-5-10)8-9-13;1-10(2,3)9-5-7-11(4)8-6-9;1-7(2)9-6-10-5-4-8(9)3/h11H,4-6,8-10H2,1-3H3;11H,5-10H2,1-4H3;10H,5-8H2,1-4H3;10,13H,4-9H2,1-3H3;9H,5-8H2,1-4H3;4-7H,1-3H3
InChIKeyMGQGEZRPELNDHP-UHFFFAOYSA-N
MW1036.76 g/mol
LogP14.73
Rot. Bonds7

About 4-tert-butyl-1-methylpiperidine;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(4-tert-butylpiperidin-1-yl)ethanone;3-(4-tert-butylpiperidin-1-yl)propanenitrile;4-tert-butyl-1-propylpiperidine;4-methyl-3-propan-2-ylpyridine

4-tert-butyl-1-methylpiperidine;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(4-tert-butylpiperidin-1-yl)ethanone;3-(4-tert-butylpiperidin-1-yl)propanenitrile;4-tert-butyl-1-propylpiperidine;4-methyl-3-propan-2-ylpyridine (PubChem CID 167619742) has the molecular formula C65H125N7O2 and a molecular weight of 1036.76 g/mol. Its IUPAC name is 4-tert-butyl-1-methylpiperidine;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(4-tert-butylpiperidin-1-yl)ethanone;3-(4-tert-butylpiperidin-1-yl)propanenitrile;4-tert-butyl-1-propylpiperidine;4-methyl-3-propan-2-ylpyridine.

Molecular Properties

Compound Name4-tert-butyl-1-methylpiperidine;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(4-tert-butylpiperidin-1-yl)ethanone;3-(4-tert-butylpiperidin-1-yl)propanenitrile;4-tert-butyl-1-propylpiperidine;4-methyl-3-propan-2-ylpyridine
PubChem CID167619742
Molecular FormulaC65H125N7O2
Molecular Weight1036.76 g/mol
Exact Mass1035.99
IUPAC Name4-tert-butyl-1-methylpiperidine;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(4-tert-butylpiperidin-1-yl)ethanone;3-(4-tert-butylpiperidin-1-yl)propanenitrile;4-tert-butyl-1-propylpiperidine;4-methyl-3-propan-2-ylpyridine
SMILESCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C1CCN(CCC#N)CC1.CC(C)(C)C1CCN(CCO)CC1.CCCN1CCC(C(C)(C)C)CC1.CN1CCC(C(C)(C)C)CC1.Cc1ccncc1C(C)C
InChIInChI=1S/C12H22N2.C12H25N.C11H21NO.C11H23NO.C10H21N.C9H13N/c1-12(2,3)11-5-9-14(10-6-11)8-4-7-13;1-5-8-13-9-6-11(7-10-13)12(2,3)4;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-11(2,3)10-4-6-12(7-5-10)8-9-13;1-10(2,3)9-5-7-11(4)8-6-9;1-7(2)9-6-10-5-4-8(9)3/h11H,4-6,8-10H2,1-3H3;11H,5-10H2,1-4H3;10H,5-8H2,1-4H3;10,13H,4-9H2,1-3H3;9H,5-8H2,1-4H3;4-7H,1-3H3
InChIKeyMGQGEZRPELNDHP-UHFFFAOYSA-N
XLogP14.73
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001036.76
LogP ≤ 514.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-tert-butyl-1-methylpiperidine;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(4-tert-butylpiperidin-1-yl)ethanone;3-(4-tert-butylpiperidin-1-yl)propanenitrile;4-tert-butyl-1-propylpiperidine;4-methyl-3-propan-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methylpiperidine;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(4-tert-butylpiperidin-1-yl)ethanone;3-(4-tert-butylpiperidin-1-yl)propanenitrile;4-tert-butyl-1-propylpiperidine;4-methyl-3-propan-2-ylpyridine?
The IUPAC name of 4-tert-butyl-1-methylpiperidine;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(4-tert-butylpiperidin-1-yl)ethanone;3-(4-tert-butylpiperidin-1-yl)propanenitrile;4-tert-butyl-1-propylpiperidine;4-methyl-3-propan-2-ylpyridine (CID 167619742) is 4-tert-butyl-1-methylpiperidine;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(4-tert-butylpiperidin-1-yl)ethanone;3-(4-tert-butylpiperidin-1-yl)propanenitrile;4-tert-butyl-1-propylpiperidine;4-methyl-3-propan-2-ylpyridine.
What is the SMILES notation for 4-tert-butyl-1-methylpiperidine;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(4-tert-butylpiperidin-1-yl)ethanone;3-(4-tert-butylpiperidin-1-yl)propanenitrile;4-tert-butyl-1-propylpiperidine;4-methyl-3-propan-2-ylpyridine?
The canonical SMILES for 4-tert-butyl-1-methylpiperidine;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(4-tert-butylpiperidin-1-yl)ethanone;3-(4-tert-butylpiperidin-1-yl)propanenitrile;4-tert-butyl-1-propylpiperidine;4-methyl-3-propan-2-ylpyridine is CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C1CCN(CCC#N)CC1.CC(C)(C)C1CCN(CCO)CC1.CCCN1CCC(C(C)(C)C)CC1.CN1CCC(C(C)(C)C)CC1.Cc1ccncc1C(C)C.
What is the InChIKey of 4-tert-butyl-1-methylpiperidine;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(4-tert-butylpiperidin-1-yl)ethanone;3-(4-tert-butylpiperidin-1-yl)propanenitrile;4-tert-butyl-1-propylpiperidine;4-methyl-3-propan-2-ylpyridine?
The InChIKey is MGQGEZRPELNDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.C12H25N.C11H21NO.C11H23NO.C10H21N.C9H13N/c1-12(2,3)11-5-9-14(10-6-11)8-4-7-13;1-5-8-13-9-6-11(7-10-13)12(2,3)4;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-11(2,3)10-4-6-12(7-5-10)8-9-13;1-10(2,3)9-5-7-11(4)8-6-9;1-7(2)9-6-10-5-4-8(9)3/h11H,4-6,8-10H2,1-3H3;11H,5-10H2,1-4H3;10H,5-8H2,1-4H3;10,13H,4-9H2,1-3H3;9H,5-8H2,1-4H3;4-7H,1-3H3.
What are the key properties of 4-tert-butyl-1-methylpiperidine;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(4-tert-butylpiperidin-1-yl)ethanone;3-(4-tert-butylpiperidin-1-yl)propanenitrile;4-tert-butyl-1-propylpiperidine;4-methyl-3-propan-2-ylpyridine?
4-tert-butyl-1-methylpiperidine;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(4-tert-butylpiperidin-1-yl)ethanone;3-(4-tert-butylpiperidin-1-yl)propanenitrile;4-tert-butyl-1-propylpiperidine;4-methyl-3-propan-2-ylpyridine has a molecular weight of 1036.76 g/mol, XLogP of 14.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methylpiperidine;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(4-tert-butylpiperidin-1-yl)ethanone;3-(4-tert-butylpiperidin-1-yl)propanenitrile;4-tert-butyl-1-propylpiperidine;4-methyl-3-propan-2-ylpyridine is sourced from PubChem (CID 167619742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).