cyclopropyl-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;cyclopropyl-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;(1,4-dimethylpiperidin-4-yl)methanol;(4-ethyl-1-methylpiperidin-4-yl)methanol;(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone;(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone

C57H108N10O8 — CID 162142647

IUPACcyclopropyl-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;cyclopropyl-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;(1,4-dimethylpiperidin-4-yl)methanol;(4-ethyl-1-methylpiperidin-4-yl)methanol;(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone;(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
SMILESCC1CC1C(=O)N1CCN(C)CC1.CCC1(CO)CCN(C)CC1.CN1CCC(C)(CO)CC1.CN1CCN(C(=O)C2(C)CC2)CC1.CN1CCN(C(=O)C2CC2)C(CO)C1.CN1CCN(C(=O)C2CC2)CC1CO
InChIInChI=1S/2C10H18N2O2.2C10H18N2O.C9H19NO.C8H17NO/c1-11-4-5-12(6-9(11)7-13)10(14)8-2-3-8;1-11-4-5-12(9(6-11)7-13)10(14)8-2-3-8;1-8-7-9(8)10(13)12-5-3-11(2)4-6-12;1-10(3-4-10)9(13)12-7-5-11(2)6-8-12;1-3-9(8-11)4-6-10(2)7-5-9;1-8(7-10)3-5-9(2)6-4-8/h2*8-9,13H,2-7H2,1H3;8-9H,3-7H2,1-2H3;3-8H2,1-2H3;11H,3-8H2,1-2H3;10H,3-7H2,1-2H3
InChIKeyZKCYSVDMHSOZRP-UHFFFAOYSA-N
MW1061.55 g/mol
LogP1.85
Rot. Bonds9

About cyclopropyl-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;cyclopropyl-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;(1,4-dimethylpiperidin-4-yl)methanol;(4-ethyl-1-methylpiperidin-4-yl)methanol;(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone;(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone

cyclopropyl-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;cyclopropyl-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;(1,4-dimethylpiperidin-4-yl)methanol;(4-ethyl-1-methylpiperidin-4-yl)methanol;(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone;(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 162142647) has the molecular formula C57H108N10O8 and a molecular weight of 1061.55 g/mol. Its IUPAC name is cyclopropyl-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;cyclopropyl-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;(1,4-dimethylpiperidin-4-yl)methanol;(4-ethyl-1-methylpiperidin-4-yl)methanol;(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone;(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;cyclopropyl-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;(1,4-dimethylpiperidin-4-yl)methanol;(4-ethyl-1-methylpiperidin-4-yl)methanol;(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone;(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID162142647
Molecular FormulaC57H108N10O8
Molecular Weight1061.55 g/mol
Exact Mass1060.84
IUPAC Namecyclopropyl-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;cyclopropyl-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;(1,4-dimethylpiperidin-4-yl)methanol;(4-ethyl-1-methylpiperidin-4-yl)methanol;(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone;(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
SMILESCC1CC1C(=O)N1CCN(C)CC1.CCC1(CO)CCN(C)CC1.CN1CCC(C)(CO)CC1.CN1CCN(C(=O)C2(C)CC2)CC1.CN1CCN(C(=O)C2CC2)C(CO)C1.CN1CCN(C(=O)C2CC2)CC1CO
InChIInChI=1S/2C10H18N2O2.2C10H18N2O.C9H19NO.C8H17NO/c1-11-4-5-12(6-9(11)7-13)10(14)8-2-3-8;1-11-4-5-12(9(6-11)7-13)10(14)8-2-3-8;1-8-7-9(8)10(13)12-5-3-11(2)4-6-12;1-10(3-4-10)9(13)12-7-5-11(2)6-8-12;1-3-9(8-11)4-6-10(2)7-5-9;1-8(7-10)3-5-9(2)6-4-8/h2*8-9,13H,2-7H2,1H3;8-9H,3-7H2,1-2H3;3-8H2,1-2H3;11H,3-8H2,1-2H3;10H,3-7H2,1-2H3
InChIKeyZKCYSVDMHSOZRP-UHFFFAOYSA-N
XLogP1.85
TPSA181.60 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.55
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze cyclopropyl-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;cyclopropyl-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;(1,4-dimethylpiperidin-4-yl)methanol;(4-ethyl-1-methylpiperidin-4-yl)methanol;(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone;(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N-(2-hydroxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;3-(hydroxymethyl)-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;4-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 160484494
4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;4-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 165108305

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;cyclopropyl-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;(1,4-dimethylpiperidin-4-yl)methanol;(4-ethyl-1-methylpiperidin-4-yl)methanol;(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone;(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of cyclopropyl-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;cyclopropyl-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;(1,4-dimethylpiperidin-4-yl)methanol;(4-ethyl-1-methylpiperidin-4-yl)methanol;(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone;(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone (CID 162142647) is cyclopropyl-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;cyclopropyl-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;(1,4-dimethylpiperidin-4-yl)methanol;(4-ethyl-1-methylpiperidin-4-yl)methanol;(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone;(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclopropyl-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;cyclopropyl-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;(1,4-dimethylpiperidin-4-yl)methanol;(4-ethyl-1-methylpiperidin-4-yl)methanol;(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone;(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for cyclopropyl-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;cyclopropyl-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;(1,4-dimethylpiperidin-4-yl)methanol;(4-ethyl-1-methylpiperidin-4-yl)methanol;(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone;(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone is CC1CC1C(=O)N1CCN(C)CC1.CCC1(CO)CCN(C)CC1.CN1CCC(C)(CO)CC1.CN1CCN(C(=O)C2(C)CC2)CC1.CN1CCN(C(=O)C2CC2)C(CO)C1.CN1CCN(C(=O)C2CC2)CC1CO.
What is the InChIKey of cyclopropyl-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;cyclopropyl-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;(1,4-dimethylpiperidin-4-yl)methanol;(4-ethyl-1-methylpiperidin-4-yl)methanol;(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone;(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZKCYSVDMHSOZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18N2O2.2C10H18N2O.C9H19NO.C8H17NO/c1-11-4-5-12(6-9(11)7-13)10(14)8-2-3-8;1-11-4-5-12(9(6-11)7-13)10(14)8-2-3-8;1-8-7-9(8)10(13)12-5-3-11(2)4-6-12;1-10(3-4-10)9(13)12-7-5-11(2)6-8-12;1-3-9(8-11)4-6-10(2)7-5-9;1-8(7-10)3-5-9(2)6-4-8/h2*8-9,13H,2-7H2,1H3;8-9H,3-7H2,1-2H3;3-8H2,1-2H3;11H,3-8H2,1-2H3;10H,3-7H2,1-2H3.
What are the key properties of cyclopropyl-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;cyclopropyl-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;(1,4-dimethylpiperidin-4-yl)methanol;(4-ethyl-1-methylpiperidin-4-yl)methanol;(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone;(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone?
cyclopropyl-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;cyclopropyl-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;(1,4-dimethylpiperidin-4-yl)methanol;(4-ethyl-1-methylpiperidin-4-yl)methanol;(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone;(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 1061.55 g/mol, XLogP of 1.85, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;cyclopropyl-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone;(1,4-dimethylpiperidin-4-yl)methanol;(4-ethyl-1-methylpiperidin-4-yl)methanol;(1-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone;(2-methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 162142647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).