1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine

C50H108N8 — CID 157252650

IUPAC1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine
SMILESCC1CC(C)(C)C1.CC1CCN(C)CC1.CCN1CCN(C)CC1.CN1CCC(C)(C)CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/C8H17N.C7H16N2.C7H15N.C7H14.2C6H13N.C5H11N.C4H9N/c1-8(2)4-6-9(3)7-5-8;1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-6-4-7(2,3)5-6;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5/h4-7H2,1-3H3;3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,4-5H2,1-3H3;2*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3
InChIKeyAWNBBCWFRVLDCR-UHFFFAOYSA-N
MW821.47 g/mol
LogP9.02
Rot. Bonds1

About 1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine

1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine (PubChem CID 157252650) has the molecular formula C50H108N8 and a molecular weight of 821.47 g/mol. Its IUPAC name is 1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine.

Molecular Properties

Compound Name1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine
PubChem CID157252650
Molecular FormulaC50H108N8
Molecular Weight821.47 g/mol
Exact Mass820.87
IUPAC Name1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine
SMILESCC1CC(C)(C)C1.CC1CCN(C)CC1.CCN1CCN(C)CC1.CN1CCC(C)(C)CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/C8H17N.C7H16N2.C7H15N.C7H14.2C6H13N.C5H11N.C4H9N/c1-8(2)4-6-9(3)7-5-8;1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-6-4-7(2,3)5-6;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5/h4-7H2,1-3H3;3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,4-5H2,1-3H3;2*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3
InChIKeyAWNBBCWFRVLDCR-UHFFFAOYSA-N
XLogP9.02
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.47
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine with MolForge

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Related Compounds

bis(1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine);1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
CID 158564155
1-(3,3-Dimethylbutyl)azetidine;1-(3,3-dimethylbutyl)aziridine;1-(3,3-dimethylbutyl)-4-(2-fluoro-2-methylpropyl)piperazine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-(2-methylpropyl)piperazine;bis(1-(3,3-dimethylbutyl)piperidine);1-(3,3-dimethylbutyl)pyrrolidine;methane
CID 159937529
4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
CID 160063488
Bis(1,4-dimethylpiperidine);4-fluoro-1,4-dimethylpiperidine;methane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,4,4-trimethylpiperidine
CID 161015276
1,4-Ditert-butyl-2,2-dimethylpiperazine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2,6-dimethylpiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperazine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,3-ditert-butyl-4-methylpyrrolidine;1,4-ditert-butyl-2,2,6,6-tetramethylpiperidine
CID 161038343
4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
CID 161140416
1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;4-tert-butyl-1-[2-(1-tert-butylazetidin-3-yl)ethyl]piperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
CID 161168269
Bis(1,4-dimethylpiperidine);4-fluoro-1,4-dimethylpiperidine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,4,4-trimethylpiperidine
CID 161217458
Bis(1,4-ditert-butyl-2,2-dimethylpiperidine);1,4-ditert-butyl-2,6-dimethylpiperidine;1,3-ditert-butyl-3-methylazetidine;1,4-ditert-butyl-2-methylpiperazine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butyl-3-methylpiperidine;1,4-ditert-butyl-4-methylpiperidine;1,3-ditert-butyl-4-methylpyrrolidine;1,4-ditert-butyl-2,2,6,6-tetramethylpiperidine
CID 161850141
4,4-dimethyl-1-(3-methylbutyl)piperidine;N,3-dimethyl-N-propylbutan-1-amine;N-ethyl-3-methyl-N-propylbutan-1-amine;methane;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)-4-propylpiperazine;3-methyl-1-(3-methylbutyl)azetidine;3-methyl-1-(3-methylbutyl)pyrrolidine
CID 161966271
1-Methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 162200398
4,4-dimethyl-1-(3-methylbutyl)piperidine;N,3-dimethyl-N-propylbutan-1-amine;N-ethyl-3-methyl-N-propylbutan-1-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)-4-propylpiperazine;3-methyl-1-(3-methylbutyl)azetidine;3-methyl-1-(3-methylbutyl)pyrrolidine
CID 165060475

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine?
The IUPAC name of 1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine (CID 157252650) is 1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine.
What is the SMILES notation for 1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine?
The canonical SMILES for 1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine is CC1CC(C)(C)C1.CC1CCN(C)CC1.CCN1CCN(C)CC1.CN1CCC(C)(C)CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.
What is the InChIKey of 1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine?
The InChIKey is AWNBBCWFRVLDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H16N2.C7H15N.C7H14.2C6H13N.C5H11N.C4H9N/c1-8(2)4-6-9(3)7-5-8;1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-6-4-7(2,3)5-6;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5/h4-7H2,1-3H3;3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,4-5H2,1-3H3;2*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3.
What are the key properties of 1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine?
1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine has a molecular weight of 821.47 g/mol, XLogP of 9.02, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine is sourced from PubChem (CID 157252650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).