N-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-N-(1-methylpiperidin-4-yl)piperidin-3-amine

C20H41N5 — CID 82565125

IUPACN-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-N-(1-methylpiperidin-4-yl)piperidin-3-amine
SMILESCN1CCC(N(C)CC2CCNCC2N(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C20H41N5/c1-22-11-6-18(7-12-22)24(3)16-17-5-10-21-15-20(17)25(4)19-8-13-23(2)14-9-19/h17-21H,5-16H2,1-4H3
InChIKeyNIIQPIJOLAHMLL-UHFFFAOYSA-N
MW351.58 g/mol
LogP1.02
Rot. Bonds5

About N-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-N-(1-methylpiperidin-4-yl)piperidin-3-amine

N-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-N-(1-methylpiperidin-4-yl)piperidin-3-amine (PubChem CID 82565125) has the molecular formula C20H41N5 and a molecular weight of 351.58 g/mol. Its IUPAC name is N-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-N-(1-methylpiperidin-4-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-N-(1-methylpiperidin-4-yl)piperidin-3-amine
PubChem CID82565125
Molecular FormulaC20H41N5
Molecular Weight351.58 g/mol
Exact Mass351.34
IUPAC NameN-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-N-(1-methylpiperidin-4-yl)piperidin-3-amine
SMILESCN1CCC(N(C)CC2CCNCC2N(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C20H41N5/c1-22-11-6-18(7-12-22)24(3)16-17-5-10-21-15-20(17)25(4)19-8-13-23(2)14-9-19/h17-21H,5-16H2,1-4H3
InChIKeyNIIQPIJOLAHMLL-UHFFFAOYSA-N
XLogP1.02
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.58
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-N-(1-methylpiperidin-4-yl)piperidin-3-amine?
The IUPAC name of N-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-N-(1-methylpiperidin-4-yl)piperidin-3-amine (CID 82565125) is N-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-N-(1-methylpiperidin-4-yl)piperidin-3-amine.
What is the SMILES notation for N-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-N-(1-methylpiperidin-4-yl)piperidin-3-amine?
The canonical SMILES for N-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-N-(1-methylpiperidin-4-yl)piperidin-3-amine is CN1CCC(N(C)CC2CCNCC2N(C)C2CCN(C)CC2)CC1.
What is the InChIKey of N-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-N-(1-methylpiperidin-4-yl)piperidin-3-amine?
The InChIKey is NIIQPIJOLAHMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N5/c1-22-11-6-18(7-12-22)24(3)16-17-5-10-21-15-20(17)25(4)19-8-13-23(2)14-9-19/h17-21H,5-16H2,1-4H3.
What are the key properties of N-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-N-(1-methylpiperidin-4-yl)piperidin-3-amine?
N-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-N-(1-methylpiperidin-4-yl)piperidin-3-amine has a molecular weight of 351.58 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-N-(1-methylpiperidin-4-yl)piperidin-3-amine is sourced from PubChem (CID 82565125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).