bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone

C70H147N11O2 — CID 161182240

IUPACbis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCCC(C)C1.CC1CCCCN1C.CC1CCCCN1C.CC1CCCN(C)C1.CC1CCCN(C)C1.CC1CCN(C(N)=O)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCNCC1
InChIInChI=1S/C8H15NO.C7H14N2O.7C7H15N.C6H13N/c1-7-4-3-5-9(6-7)8(2)10;1-6-2-4-9(5-3-6)7(8)10;3*1-7-3-5-8(2)6-4-7;2*1-7-4-3-5-8(2)6-7;2*1-7-5-3-4-6-8(7)2;1-6-2-4-7-5-3-6/h7H,3-6H2,1-2H3;6H,2-5H2,1H3,(H2,8,10);7*7H,3-6H2,1-2H3;6-7H,2-5H2,1H3
InChIKeyUSPRQBDTWQRBMM-UHFFFAOYSA-N
MW1175.02 g/mol
LogP12.79
Rot. Bonds

About bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone

bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 161182240) has the molecular formula C70H147N11O2 and a molecular weight of 1175.02 g/mol. Its IUPAC name is bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Namebis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone
PubChem CID161182240
Molecular FormulaC70H147N11O2
Molecular Weight1175.02 g/mol
Exact Mass1174.17
IUPAC Namebis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCCC(C)C1.CC1CCCCN1C.CC1CCCCN1C.CC1CCCN(C)C1.CC1CCCN(C)C1.CC1CCN(C(N)=O)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCNCC1
InChIInChI=1S/C8H15NO.C7H14N2O.7C7H15N.C6H13N/c1-7-4-3-5-9(6-7)8(2)10;1-6-2-4-9(5-3-6)7(8)10;3*1-7-3-5-8(2)6-4-7;2*1-7-4-3-5-8(2)6-7;2*1-7-5-3-4-6-8(7)2;1-6-2-4-7-5-3-6/h7H,3-6H2,1-2H3;6H,2-5H2,1H3,(H2,8,10);7*7H,3-6H2,1-2H3;6-7H,2-5H2,1H3
InChIKeyUSPRQBDTWQRBMM-UHFFFAOYSA-N
XLogP12.79
TPSA101.35 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001175.02
LogP ≤ 512.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

acetaldehyde;N'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N"-methyl-N"-(2,2,6,6-tetramethylpiperidin-4-yl)methanetriamine;N-[6-[propan-2-yl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 141929373
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide
CID 157080063
1-(4-Tert-butyl-2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperidin-1-yl)ethanone;4-tert-butyl-2,2,3,3,4-pentadeuteriopiperidine-1-carboxamide;4-tert-butyl-3,3,4,5,5-pentadeuteriopiperidine-1-carboxamide;4-tert-butyl-2,2,3,3-tetradeuteriopiperidine-1-carboxamide;1-(4-tert-butyl-2,2,6,6-tetradeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-3,3,5,5-tetradeuteriopiperidin-1-yl)ethanone;methane
CID 157965041
N-tert-butyl-4-propan-2-ylpiperidine-1-carboxamide;N-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine-1-carboxamide;N,4-di(propan-2-yl)piperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;methane;N-methyl-4-propan-2-ylpiperidine-1-carboxamide
CID 158179539
1,3-Dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
CID 158801888
1-[4-[(Dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea
CID 159146038
N-tert-butyl-N-methyl-4-propan-2-ylpiperidine-1-carboxamide;N-ethyl-4-propan-2-ylpiperidine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperidine-1-carboxamide;N-methyl-4-propan-2-ylpiperidine-1-carboxamide
CID 159366126
1,3-Dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
CID 159624475
N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 160479723
(2S)-2-amino-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylpiperazine;N,4-dimethylpiperidine-1-carboxamide;methane;tris(1-methylpiperidine)
CID 161382164
Bis(1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea);1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea
CID 161417199
Methane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine
CID 162061988

Frequently Asked Questions

What is the IUPAC name of bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone (CID 161182240) is bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone is CC(=O)N1CCCC(C)C1.CC1CCCCN1C.CC1CCCCN1C.CC1CCCN(C)C1.CC1CCCN(C)C1.CC1CCN(C(N)=O)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCNCC1.
What is the InChIKey of bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is USPRQBDTWQRBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C7H14N2O.7C7H15N.C6H13N/c1-7-4-3-5-9(6-7)8(2)10;1-6-2-4-9(5-3-6)7(8)10;3*1-7-3-5-8(2)6-4-7;2*1-7-4-3-5-8(2)6-7;2*1-7-5-3-4-6-8(7)2;1-6-2-4-7-5-3-6/h7H,3-6H2,1-2H3;6H,2-5H2,1H3,(H2,8,10);7*7H,3-6H2,1-2H3;6-7H,2-5H2,1H3.
What are the key properties of bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone?
bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 1175.02 g/mol, XLogP of 12.79, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 161182240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).