N-methyl-N-(3-morpholin-4-ylpropyl)-6-piperazin-1-ylpyridin-2-amine

C17H29N5O — CID 68559270

IUPACN-methyl-N-(3-morpholin-4-ylpropyl)-6-piperazin-1-ylpyridin-2-amine
SMILESCN(CCCN1CCOCC1)c1cccc(N2CCNCC2)n1
InChIInChI=1S/C17H29N5O/c1-20(8-3-9-21-12-14-23-15-13-21)16-4-2-5-17(19-16)22-10-6-18-7-11-22/h2,4-5,18H,3,6-15H2,1H3
InChIKeyCFWQBPSPZRZIHM-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.65
Rot. Bonds6

About N-methyl-N-(3-morpholin-4-ylpropyl)-6-piperazin-1-ylpyridin-2-amine

N-methyl-N-(3-morpholin-4-ylpropyl)-6-piperazin-1-ylpyridin-2-amine (PubChem CID 68559270) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-methyl-N-(3-morpholin-4-ylpropyl)-6-piperazin-1-ylpyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(3-morpholin-4-ylpropyl)-6-piperazin-1-ylpyridin-2-amine
PubChem CID68559270
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-methyl-N-(3-morpholin-4-ylpropyl)-6-piperazin-1-ylpyridin-2-amine
SMILESCN(CCCN1CCOCC1)c1cccc(N2CCNCC2)n1
InChIInChI=1S/C17H29N5O/c1-20(8-3-9-21-12-14-23-15-13-21)16-4-2-5-17(19-16)22-10-6-18-7-11-22/h2,4-5,18H,3,6-15H2,1H3
InChIKeyCFWQBPSPZRZIHM-UHFFFAOYSA-N
XLogP0.65
TPSA43.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-morpholin-4-ylpropyl)-6-piperazin-1-ylpyridin-2-amine?
The IUPAC name of N-methyl-N-(3-morpholin-4-ylpropyl)-6-piperazin-1-ylpyridin-2-amine (CID 68559270) is N-methyl-N-(3-morpholin-4-ylpropyl)-6-piperazin-1-ylpyridin-2-amine.
What is the SMILES notation for N-methyl-N-(3-morpholin-4-ylpropyl)-6-piperazin-1-ylpyridin-2-amine?
The canonical SMILES for N-methyl-N-(3-morpholin-4-ylpropyl)-6-piperazin-1-ylpyridin-2-amine is CN(CCCN1CCOCC1)c1cccc(N2CCNCC2)n1.
What is the InChIKey of N-methyl-N-(3-morpholin-4-ylpropyl)-6-piperazin-1-ylpyridin-2-amine?
The InChIKey is CFWQBPSPZRZIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-20(8-3-9-21-12-14-23-15-13-21)16-4-2-5-17(19-16)22-10-6-18-7-11-22/h2,4-5,18H,3,6-15H2,1H3.
What are the key properties of N-methyl-N-(3-morpholin-4-ylpropyl)-6-piperazin-1-ylpyridin-2-amine?
N-methyl-N-(3-morpholin-4-ylpropyl)-6-piperazin-1-ylpyridin-2-amine has a molecular weight of 319.45 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-morpholin-4-ylpropyl)-6-piperazin-1-ylpyridin-2-amine is sourced from PubChem (CID 68559270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).