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

C85H192N16O4 — CID 158918509

IUPAC6-(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
SMILESCC.CC.CC.CC.CC.CC.CC(=O)N1CCN(C)CC1.CC(C)C(=O)CCCN(C)C.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC1CCNCC1.CN1CCC(N2CCCC2)CC1.CN1CCC(O)CC1.CN1CCN(C)CC1.CN1CCN(CCO)CC1
InChIInChI=1S/C13H27N3.C10H20N2.C9H20N2.C9H19NO.C7H14N2O.C7H16N2O.C6H14N2.C6H13NO.C6H13N.6C2H6/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-11-8-4-10(5-9-11)12-6-2-3-7-12;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)9(11)6-5-7-10(3)4;1-7(10)9-5-3-8(2)4-6-9;1-8-2-4-9(5-3-8)6-7-10;1-7-3-5-8(2)6-4-7;1-7-4-2-6(8)3-5-7;1-6-2-4-7-5-3-6;6*1-2/h12-13H,4-11H2,1-3H3;10H,2-9H2,1H3;8-9H,5-7H2,1-4H3;8H,5-7H2,1-4H3;3-6H2,1-2H3;10H,2-7H2,1H3;3-6H2,1-2H3;6,8H,2-5H2,1H3;6-7H,2-5H2,1H3;6*1-2H3
InChIKeyJHNPCKOJSBJAQN-UHFFFAOYSA-N
MW1502.58 g/mol
LogP10.97
Rot. Bonds12

About 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

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 (PubChem CID 158918509) has the molecular formula C85H192N16O4 and a molecular weight of 1502.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID158918509
Molecular FormulaC85H192N16O4
Molecular Weight1502.58 g/mol
Exact Mass1501.53
IUPAC Name6-(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
SMILESCC.CC.CC.CC.CC.CC.CC(=O)N1CCN(C)CC1.CC(C)C(=O)CCCN(C)C.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC1CCNCC1.CN1CCC(N2CCCC2)CC1.CN1CCC(O)CC1.CN1CCN(C)CC1.CN1CCN(CCO)CC1
InChIInChI=1S/C13H27N3.C10H20N2.C9H20N2.C9H19NO.C7H14N2O.C7H16N2O.C6H14N2.C6H13NO.C6H13N.6C2H6/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-11-8-4-10(5-9-11)12-6-2-3-7-12;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)9(11)6-5-7-10(3)4;1-7(10)9-5-3-8(2)4-6-9;1-8-2-4-9(5-3-8)6-7-10;1-7-3-5-8(2)6-4-7;1-7-4-2-6(8)3-5-7;1-6-2-4-7-5-3-6;6*1-2/h12-13H,4-11H2,1-3H3;10H,2-9H2,1H3;8-9H,5-7H2,1-4H3;8H,5-7H2,1-4H3;3-6H2,1-2H3;10H,2-7H2,1H3;3-6H2,1-2H3;6,8H,2-5H2,1H3;6-7H,2-5H2,1H3;6*1-2H3
InChIKeyJHNPCKOJSBJAQN-UHFFFAOYSA-N
XLogP10.97
TPSA135.23 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001502.58
LogP ≤ 510.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Related Compounds

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
1,4-dimethylpiperazine;1,4-dimethylpiperidin-4-ol;ethane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-(4-methylpiperazin-1-yl)ethanol;1-methylpiperidin-4-ol;2-[methyl(propan-2-yl)amino]ethanol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 157451595
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
1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-N-(2-isocyano-2-methylpropyl)-N-methylpiperidin-4-amine;1-tert-butyl-4-(3-isocyanopyrrolidin-1-yl)piperidine;4-(1-tert-butyl-4-methylpiperidin-4-yl)morpholine;2-[(1-tert-butylpiperidin-4-yl)amino]-N,N-dimethylacetamide;4-(1-tert-butylpiperidin-4-yl)piperazin-2-one;(1-tert-butylpiperidin-4-yl)-piperazin-1-ylmethanone;1-(dimethylamino)-4,4-dimethylpentan-2-ol;(3R)-N-(3,3-dimethylbutyl)oxolan-3-amine;4,4-dimethyl-1-morpholin-4-ylpentan-2-ol;4,4-dimethyl-1-piperidin-1-ylpentan-2-ol
CID 158377896
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
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;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-ol;2-(1-propan-2-ylpiperidin-4-yl)ethanol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 158480366
1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;N-methyl-1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol
CID 158498168
1-cyclohexyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidine-4-carboxamide;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-methyl-N-propan-2-ylpiperidin-4-amine;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol
CID 158504705
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
N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-3-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;2-(1-propan-2-ylpiperidin-4-yl)ethanamine;(1-propan-2-ylpiperidin-3-yl)methanamine;(1-propan-2-ylpiperidin-4-yl)methanamine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 158687484
methane;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;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 159074663
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.CC.CC.CC(=O)N1CCN(C)CC1.CC(C)C(=O)CCCN(C)C.CC(C)N1CCC(N(C)C)C1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC1CCNCC1.CN1CCC(N2CCCC2)CC1.CN1CCC(O)CC1.CN1CCN(C)CC1.CN1CCN(CCO)CC1.
What is the InChIKey of 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?
The InChIKey is JHNPCKOJSBJAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.C10H20N2.C9H20N2.C9H19NO.C7H14N2O.C7H16N2O.C6H14N2.C6H13NO.C6H13N.6C2H6/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-11-8-4-10(5-9-11)12-6-2-3-7-12;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)9(11)6-5-7-10(3)4;1-7(10)9-5-3-8(2)4-6-9;1-8-2-4-9(5-3-8)6-7-10;1-7-3-5-8(2)6-4-7;1-7-4-2-6(8)3-5-7;1-6-2-4-7-5-3-6;6*1-2/h12-13H,4-11H2,1-3H3;10H,2-9H2,1H3;8-9H,5-7H2,1-4H3;8H,5-7H2,1-4H3;3-6H2,1-2H3;10H,2-7H2,1H3;3-6H2,1-2H3;6,8H,2-5H2,1H3;6-7H,2-5H2,1H3;6*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1502.58 g/mol, XLogP of 10.97, 12 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158918509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).