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

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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).