1-ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane

C48H100N10O3 — CID 157132450

IUPAC1-ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane
SMILESC.CCC1(O)CCNCC1.CCC1CCNCC1.CCN1CCC(=O)C12CCNCC2.CCN1CCC2(CCNCC2)C1=O.CCN1CCNCC1.CCN1CCNCC1C
InChIInChI=1S/2C10H18N2O.C7H16N2.C7H15NO.C7H15N.C6H14N2.CH4/c1-2-12-8-3-9(13)10(12)4-6-11-7-5-10;1-2-12-8-5-10(9(12)13)3-6-11-7-4-10;1-3-9-5-4-8-6-7(9)2;1-2-7(9)3-5-8-6-4-7;1-2-7-3-5-8-6-4-7;1-2-8-5-3-7-4-6-8;/h2*11H,2-8H2,1H3;7-8H,3-6H2,1-2H3;8-9H,2-6H2,1H3;7-8H,2-6H2,1H3;7H,2-6H2,1H3;1H4
InChIKeyAJFPJWIPBNELBS-UHFFFAOYSA-N
MW865.39 g/mol
LogP3.77
Rot. Bonds6

About 1-ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane

1-ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane (PubChem CID 157132450) has the molecular formula C48H100N10O3 and a molecular weight of 865.39 g/mol. Its IUPAC name is 1-ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane.

Molecular Properties

Compound Name1-ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane
PubChem CID157132450
Molecular FormulaC48H100N10O3
Molecular Weight865.39 g/mol
Exact Mass864.80
IUPAC Name1-ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane
SMILESC.CCC1(O)CCNCC1.CCC1CCNCC1.CCN1CCC(=O)C12CCNCC2.CCN1CCC2(CCNCC2)C1=O.CCN1CCNCC1.CCN1CCNCC1C
InChIInChI=1S/2C10H18N2O.C7H16N2.C7H15NO.C7H15N.C6H14N2.CH4/c1-2-12-8-3-9(13)10(12)4-6-11-7-5-10;1-2-12-8-5-10(9(12)13)3-6-11-7-4-10;1-3-9-5-4-8-6-7(9)2;1-2-7(9)3-5-8-6-4-7;1-2-7-3-5-8-6-4-7;1-2-8-5-3-7-4-6-8;/h2*11H,2-8H2,1H3;7-8H,3-6H2,1-2H3;8-9H,2-6H2,1H3;7-8H,2-6H2,1H3;7H,2-6H2,1H3;1H4
InChIKeyAJFPJWIPBNELBS-UHFFFAOYSA-N
XLogP3.77
TPSA139.51 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500865.39
LogP ≤ 53.77
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze 1-ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane with MolForge

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Launch Full Analysis

Related Compounds

6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;[(1-propan-2-ylpiperidin-4-yl)amino]methanol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 158293254
6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 158441117
1-tert-butyl-4-methylpiperazine;2-(4-tert-butylpiperazin-1-yl)ethanol;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;6-(dimethylamino)-2-methylhexan-3-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 158659065
6-(dimethylamino)-2-methylhexan-3-one;1,4-dimethylpiperazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;ethane;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;4-methylpiperidine;1-methylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-pyrrolidin-1-ylpiperidine
CID 158918509
1-tert-butyl-4-methylpiperazine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;6-(dimethylamino)-2-methylhexan-3-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 159285266
1-Ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol
CID 160408297
4,4-Dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one
CID 162221721

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane?
The IUPAC name of 1-ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane (CID 157132450) is 1-ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane.
What is the SMILES notation for 1-ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane?
The canonical SMILES for 1-ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane is C.CCC1(O)CCNCC1.CCC1CCNCC1.CCN1CCC(=O)C12CCNCC2.CCN1CCC2(CCNCC2)C1=O.CCN1CCNCC1.CCN1CCNCC1C.
What is the InChIKey of 1-ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane?
The InChIKey is AJFPJWIPBNELBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18N2O.C7H16N2.C7H15NO.C7H15N.C6H14N2.CH4/c1-2-12-8-3-9(13)10(12)4-6-11-7-5-10;1-2-12-8-5-10(9(12)13)3-6-11-7-4-10;1-3-9-5-4-8-6-7(9)2;1-2-7(9)3-5-8-6-4-7;1-2-7-3-5-8-6-4-7;1-2-8-5-3-7-4-6-8;/h2*11H,2-8H2,1H3;7-8H,3-6H2,1-2H3;8-9H,2-6H2,1H3;7-8H,2-6H2,1H3;7H,2-6H2,1H3;1H4.
What are the key properties of 1-ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane?
1-ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane has a molecular weight of 865.39 g/mol, XLogP of 3.77, 6 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane is sourced from PubChem (CID 157132450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).