3-amino-3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;2-(dimethylamino)-1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-ol;4-methyl-1-propylpiperidine;(2S,6R)-2,4,6-trimethylpiperidine

C47H97N7O3 — CID 158310574

IUPAC3-amino-3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;2-(dimethylamino)-1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-ol;4-methyl-1-propylpiperidine;(2S,6R)-2,4,6-trimethylpiperidine
SMILESCC1CCN(C(=O)CC(C)(C)N)CC1.CC1CCN(C(=O)CN(C)C)CC1.CC1C[C@@H](C)N[C@@H](C)C1.CCC(O)N1CCC(C)CC1.CCCN1CCC(C)CC1
InChIInChI=1S/C11H22N2O.C10H20N2O.C9H19NO.C9H19N.C8H17N/c1-9-4-6-13(7-5-9)10(14)8-11(2,3)12;1-9-4-6-12(7-5-9)10(13)8-11(2)3;1-3-9(11)10-6-4-8(2)5-7-10;1-3-6-10-7-4-9(2)5-8-10;1-6-4-7(2)9-8(3)5-6/h9H,4-8,12H2,1-3H3;9H,4-8H2,1-3H3;8-9,11H,3-7H2,1-2H3;9H,3-8H2,1-2H3;6-9H,4-5H2,1-3H3/t;;;;6?,7-,8+
InChIKeyGNQARKQQFLVRJJ-KYMQSTPUSA-N
MW808.34 g/mol
LogP7.54
Rot. Bonds8

About 3-amino-3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;2-(dimethylamino)-1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-ol;4-methyl-1-propylpiperidine;(2S,6R)-2,4,6-trimethylpiperidine

3-amino-3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;2-(dimethylamino)-1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-ol;4-methyl-1-propylpiperidine;(2S,6R)-2,4,6-trimethylpiperidine (PubChem CID 158310574) has the molecular formula C47H97N7O3 and a molecular weight of 808.34 g/mol. Its IUPAC name is 3-amino-3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;2-(dimethylamino)-1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-ol;4-methyl-1-propylpiperidine;(2S,6R)-2,4,6-trimethylpiperidine.

Molecular Properties

Compound Name3-amino-3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;2-(dimethylamino)-1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-ol;4-methyl-1-propylpiperidine;(2S,6R)-2,4,6-trimethylpiperidine
PubChem CID158310574
Molecular FormulaC47H97N7O3
Molecular Weight808.34 g/mol
Exact Mass807.77
IUPAC Name3-amino-3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;2-(dimethylamino)-1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-ol;4-methyl-1-propylpiperidine;(2S,6R)-2,4,6-trimethylpiperidine
SMILESCC1CCN(C(=O)CC(C)(C)N)CC1.CC1CCN(C(=O)CN(C)C)CC1.CC1C[C@@H](C)N[C@@H](C)C1.CCC(O)N1CCC(C)CC1.CCCN1CCC(C)CC1
InChIInChI=1S/C11H22N2O.C10H20N2O.C9H19NO.C9H19N.C8H17N/c1-9-4-6-13(7-5-9)10(14)8-11(2,3)12;1-9-4-6-12(7-5-9)10(13)8-11(2)3;1-3-9(11)10-6-4-8(2)5-7-10;1-3-6-10-7-4-9(2)5-8-10;1-6-4-7(2)9-8(3)5-6/h9H,4-8,12H2,1-3H3;9H,4-8H2,1-3H3;8-9,11H,3-7H2,1-2H3;9H,3-8H2,1-2H3;6-9H,4-5H2,1-3H3/t;;;;6?,7-,8+
InChIKeyGNQARKQQFLVRJJ-KYMQSTPUSA-N
XLogP7.54
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.34
LogP ≤ 57.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;2-(dimethylamino)-1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-ol;4-methyl-1-propylpiperidine;(2S,6R)-2,4,6-trimethylpiperidine 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

3-amino-3-methyl-1-(4-methylazepan-1-yl)butan-1-one
CID 64677870
3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 64679136
3-amino-1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 64678846
2-[2-hydroxypropyl(methyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 62332786
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 79652067
1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide
CID 64683539
3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
CID 64685940
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754
methanesulfonic acid;4-methyl-1-propylpiperidine
CID 175583558
2-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)butanamide
CID 79805082
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pentanamide
CID 61241654
2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone
CID 59001118

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;2-(dimethylamino)-1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-ol;4-methyl-1-propylpiperidine;(2S,6R)-2,4,6-trimethylpiperidine?
The IUPAC name of 3-amino-3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;2-(dimethylamino)-1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-ol;4-methyl-1-propylpiperidine;(2S,6R)-2,4,6-trimethylpiperidine (CID 158310574) is 3-amino-3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;2-(dimethylamino)-1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-ol;4-methyl-1-propylpiperidine;(2S,6R)-2,4,6-trimethylpiperidine.
What is the SMILES notation for 3-amino-3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;2-(dimethylamino)-1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-ol;4-methyl-1-propylpiperidine;(2S,6R)-2,4,6-trimethylpiperidine?
The canonical SMILES for 3-amino-3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;2-(dimethylamino)-1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-ol;4-methyl-1-propylpiperidine;(2S,6R)-2,4,6-trimethylpiperidine is CC1CCN(C(=O)CC(C)(C)N)CC1.CC1CCN(C(=O)CN(C)C)CC1.CC1C[C@@H](C)N[C@@H](C)C1.CCC(O)N1CCC(C)CC1.CCCN1CCC(C)CC1.
What is the InChIKey of 3-amino-3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;2-(dimethylamino)-1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-ol;4-methyl-1-propylpiperidine;(2S,6R)-2,4,6-trimethylpiperidine?
The InChIKey is GNQARKQQFLVRJJ-KYMQSTPUSA-N. The full InChI is InChI=1S/C11H22N2O.C10H20N2O.C9H19NO.C9H19N.C8H17N/c1-9-4-6-13(7-5-9)10(14)8-11(2,3)12;1-9-4-6-12(7-5-9)10(13)8-11(2)3;1-3-9(11)10-6-4-8(2)5-7-10;1-3-6-10-7-4-9(2)5-8-10;1-6-4-7(2)9-8(3)5-6/h9H,4-8,12H2,1-3H3;9H,4-8H2,1-3H3;8-9,11H,3-7H2,1-2H3;9H,3-8H2,1-2H3;6-9H,4-5H2,1-3H3/t;;;;6?,7-,8+.
What are the key properties of 3-amino-3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;2-(dimethylamino)-1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-ol;4-methyl-1-propylpiperidine;(2S,6R)-2,4,6-trimethylpiperidine?
3-amino-3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;2-(dimethylamino)-1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-ol;4-methyl-1-propylpiperidine;(2S,6R)-2,4,6-trimethylpiperidine has a molecular weight of 808.34 g/mol, XLogP of 7.54, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;2-(dimethylamino)-1-(4-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)propan-1-ol;4-methyl-1-propylpiperidine;(2S,6R)-2,4,6-trimethylpiperidine is sourced from PubChem (CID 158310574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).