4-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one

C55H112N10O4 — CID 167557433

IUPAC4-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one
SMILESCC(C)(C)C1CCNCC1.CC(C)(C)N1CCCCC1=O.CC(C)N1CCCCC1.CC(C)N1CCCCC1=O.CC(C)N1CCNC(=O)C1.CC(C)N1CCNCC1.CC(C)N1CCNCC1=O
InChIInChI=1S/C9H17NO.C9H19N.C8H15NO.C8H17N.2C7H14N2O.C7H16N2/c1-9(2,3)10-7-5-4-6-8(10)11;1-9(2,3)8-4-6-10-7-5-8;1-7(2)9-6-4-3-5-8(9)10;1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-3-8-7(10)5-9;1-6(2)9-4-3-8-5-7(9)10;1-7(2)9-5-3-8-4-6-9/h4-7H2,1-3H3;8,10H,4-7H2,1-3H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);6,8H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyDERACONVWZINDM-UHFFFAOYSA-N
MW977.57 g/mol
LogP7.07
Rot. Bonds5

About 4-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one

4-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one (PubChem CID 167557433) has the molecular formula C55H112N10O4 and a molecular weight of 977.57 g/mol. Its IUPAC name is 4-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name4-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one
PubChem CID167557433
Molecular FormulaC55H112N10O4
Molecular Weight977.57 g/mol
Exact Mass976.89
IUPAC Name4-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one
SMILESCC(C)(C)C1CCNCC1.CC(C)(C)N1CCCCC1=O.CC(C)N1CCCCC1.CC(C)N1CCCCC1=O.CC(C)N1CCNC(=O)C1.CC(C)N1CCNCC1.CC(C)N1CCNCC1=O
InChIInChI=1S/C9H17NO.C9H19N.C8H15NO.C8H17N.2C7H14N2O.C7H16N2/c1-9(2,3)10-7-5-4-6-8(10)11;1-9(2,3)8-4-6-10-7-5-8;1-7(2)9-6-4-3-5-8(9)10;1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-3-8-7(10)5-9;1-6(2)9-4-3-8-5-7(9)10;1-7(2)9-5-3-8-4-6-9/h4-7H2,1-3H3;8,10H,4-7H2,1-3H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);6,8H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyDERACONVWZINDM-UHFFFAOYSA-N
XLogP7.07
TPSA135.84 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.57
LogP ≤ 57.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;N-[3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;N,N'-bis[2-[di(propan-2-yl)amino]ethyl]hexanediamide;N-[2-[di(propan-2-yl)amino]ethyl]dodecanamide
CID 54338405
N-methyl-N-[1-[2-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]ethyl]piperidin-4-yl]-2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 134582812
N-methyl-N-[[1-[2-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]ethyl]piperidin-4-yl]methyl]-2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 134583082
(3S)-1-[(2S)-4-methyl-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685842
(3S)-1-[4-methyl-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685845
(3S)-1-[(2S)-3-methyl-1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1-oxobutan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138749259
9-(1-Acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one
CID 143778820
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N,1-dimethyl-N-(1-methylpiperidin-4-yl)-4-(propan-2-ylamino)piperidine-4-carboxamide;1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide
CID 157734997
(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;methane;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
CID 158075959
3,3,5,5-Tetramethyl-1-[2-[3,3,5,5-tetramethyl-6-oxo-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]ethyl]-6,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-2-one
CID 158374000
(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
CID 159002186
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-propan-2-ylpiperidine-4-carboxamide;N-[2-(dimethylamino)ethyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-1-propan-2-ylpiperidine-4-carboxamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylpiperidine-4-carboxamide;N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 159313437

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one?
The IUPAC name of 4-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one (CID 167557433) is 4-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 4-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 4-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one is CC(C)(C)C1CCNCC1.CC(C)(C)N1CCCCC1=O.CC(C)N1CCCCC1.CC(C)N1CCCCC1=O.CC(C)N1CCNC(=O)C1.CC(C)N1CCNCC1.CC(C)N1CCNCC1=O.
What is the InChIKey of 4-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one?
The InChIKey is DERACONVWZINDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C9H19N.C8H15NO.C8H17N.2C7H14N2O.C7H16N2/c1-9(2,3)10-7-5-4-6-8(10)11;1-9(2,3)8-4-6-10-7-5-8;1-7(2)9-6-4-3-5-8(9)10;1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-3-8-7(10)5-9;1-6(2)9-4-3-8-5-7(9)10;1-7(2)9-5-3-8-4-6-9/h4-7H2,1-3H3;8,10H,4-7H2,1-3H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);6,8H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of 4-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one?
4-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one has a molecular weight of 977.57 g/mol, XLogP of 7.07, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-propan-2-ylpiperazine;1-propan-2-ylpiperazin-2-one;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 167557433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).