2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol

C53H116N10O4 — CID 159032777

IUPAC2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N(C)CCO.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CCO)CC1
InChIInChI=1S/C13H27N3.C9H20N2O.C9H19NO.C8H18N2.C8H17NO.C6H15NO/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-9(2)11-5-3-10(4-6-11)7-8-12;1-8(2)10-6-4-9(3,11)5-7-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-6(2)7(3)4-5-8/h12-13H,4-11H2,1-3H3;9,12H,3-8H2,1-2H3;8,11H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6,8H,4-5H2,1-3H3
InChIKeyJVBVERYKIDMKBJ-UHFFFAOYSA-N
MW957.58 g/mol
LogP4.17
Rot. Bonds11

About 2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol

2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol (PubChem CID 159032777) has the molecular formula C53H116N10O4 and a molecular weight of 957.58 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol
PubChem CID159032777
Molecular FormulaC53H116N10O4
Molecular Weight957.58 g/mol
Exact Mass956.92
IUPAC Name2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N(C)CCO.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CCO)CC1
InChIInChI=1S/C13H27N3.C9H20N2O.C9H19NO.C8H18N2.C8H17NO.C6H15NO/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-9(2)11-5-3-10(4-6-11)7-8-12;1-8(2)10-6-4-9(3,11)5-7-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-6(2)7(3)4-5-8/h12-13H,4-11H2,1-3H3;9,12H,3-8H2,1-2H3;8,11H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6,8H,4-5H2,1-3H3
InChIKeyJVBVERYKIDMKBJ-UHFFFAOYSA-N
XLogP4.17
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.58
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

4-Methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 157218900
1-Ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol
CID 158054707
(3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine
CID 158198814
3,3-Dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
CID 158519391
1-Methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol
CID 158924340
(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine
CID 159659091
(3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine
CID 160564552
(2R,6R)-1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)-2,6-dimethylpiperazine;(2R,6S)-1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)-2,6-dimethylpiperazine;(2S,6R)-4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2,6-dimethylpiperazine;4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)-2,6-dimethylpiperazine;[(2R)-4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-yl]methanol;[4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-yl]methanol;(2R,6R)-1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,6-dimethylpiperazine;(2R,6S)-1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,6-dimethylpiperazine;(2R,6S)-4-tert-butyl-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,6-dimethylpiperazine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,6-dimethylpiperazine
CID 160601865
3-(Dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol
CID 161104226
(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R)-1-tert-butylpiperidin-3-amine
CID 161127068
1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
CID 161402283
N,N-dimethylethanamine;1,4-dimethylpiperazine;N,1-dimethylpiperidin-4-amine;1,4-dimethylpiperidin-4-ol;1-ethyl-4-methylpiperazine;2-methoxy-N,N-dimethylethanamine;1-methylpiperazine
CID 161944601

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol (CID 159032777) is 2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol is CC(C)N(C)CCO.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(CCO)CC1.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol?
The InChIKey is JVBVERYKIDMKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.C9H20N2O.C9H19NO.C8H18N2.C8H17NO.C6H15NO/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-9(2)11-5-3-10(4-6-11)7-8-12;1-8(2)10-6-4-9(3,11)5-7-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-6(2)7(3)4-5-8/h12-13H,4-11H2,1-3H3;9,12H,3-8H2,1-2H3;8,11H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6,8H,4-5H2,1-3H3.
What are the key properties of 2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol?
2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol has a molecular weight of 957.58 g/mol, XLogP of 4.17, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 159032777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).