N,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine

C23H53N7 — CID 91250349

IUPACN,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESCNC1CCN(C)CC1.CNCC1CCN(C)CC1.CNCCN1CCN(C)CC1
InChIInChI=1S/C8H19N3.C8H18N2.C7H16N2/c1-9-3-4-11-7-5-10(2)6-8-11;1-9-7-8-3-5-10(2)6-4-8;1-8-7-3-5-9(2)6-4-7/h9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyCPXDJUXIYSBPPO-UHFFFAOYSA-N
MW427.73 g/mol
LogP0.30
Rot. Bonds6

About N,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine

N,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine (PubChem CID 91250349) has the molecular formula C23H53N7 and a molecular weight of 427.73 g/mol. Its IUPAC name is N,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine
PubChem CID91250349
Molecular FormulaC23H53N7
Molecular Weight427.73 g/mol
Exact Mass427.44
IUPAC NameN,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESCNC1CCN(C)CC1.CNCC1CCN(C)CC1.CNCCN1CCN(C)CC1
InChIInChI=1S/C8H19N3.C8H18N2.C7H16N2/c1-9-3-4-11-7-5-10(2)6-8-11;1-9-7-8-3-5-10(2)6-4-8;1-8-7-3-5-9(2)6-4-7/h9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyCPXDJUXIYSBPPO-UHFFFAOYSA-N
XLogP0.30
TPSA49.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.73
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine with MolForge

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Related Compounds

Quinuclidine, 2-((2-diethylaminoethyl)aminomethyl)-
CID 3053134
1,4-Bis(2,2,6,6-tetramethyl-4-piperidinyl)piperazine
CID 365209
1-Methyl-4-(1-(4-piperidyl)-4-piperidyl)piperazine
CID 53384439
1-Methyl-4-(1-piperidin-4-ylethyl)piperazine
CID 44827668
N-cyclopropyl-1-azabicyclo(2.2.2)octan-3-amine
CID 43121520
N-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 19775384
3-Ethylaminoquinuclidine
CID 19849160
(9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 98741869
5-Fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
CID 123442953
5-Fluoro-4-[4-[(4-iodopiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
CID 134321543
5-Fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
CID 134340085
(3S,4S)-1-[1-[4-(tert-butylamino)-4-methylpiperidin-1-yl]-2-methylpropan-2-yl]-3-fluoropiperidin-4-amine
CID 156467826

Frequently Asked Questions

What is the IUPAC name of N,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The IUPAC name of N,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine (CID 91250349) is N,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine.
What is the SMILES notation for N,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The canonical SMILES for N,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine is CNC1CCN(C)CC1.CNCC1CCN(C)CC1.CNCCN1CCN(C)CC1.
What is the InChIKey of N,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The InChIKey is CPXDJUXIYSBPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3.C8H18N2.C7H16N2/c1-9-3-4-11-7-5-10(2)6-8-11;1-9-7-8-3-5-10(2)6-4-8;1-8-7-3-5-9(2)6-4-7/h9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of N,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
N,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine has a molecular weight of 427.73 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylpiperidin-4-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-1-(1-methylpiperidin-4-yl)methanamine is sourced from PubChem (CID 91250349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).