N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-pyridin-4-ylpiperidin-4-amine

C20H27N5O — CID 128543191

IUPACN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-pyridin-4-ylpiperidin-4-amine
SMILESc1cnc(N2CCOCC2)c(CNC2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C20H27N5O/c1-2-17(20(22-7-1)25-12-14-26-15-13-25)16-23-18-5-10-24(11-6-18)19-3-8-21-9-4-19/h1-4,7-9,18,23H,5-6,10-16H2
InChIKeyOEQZGIBRWMCYDR-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.07
Rot. Bonds5

About N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-pyridin-4-ylpiperidin-4-amine

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-pyridin-4-ylpiperidin-4-amine (PubChem CID 128543191) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-pyridin-4-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-pyridin-4-ylpiperidin-4-amine
PubChem CID128543191
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-pyridin-4-ylpiperidin-4-amine
SMILESc1cnc(N2CCOCC2)c(CNC2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C20H27N5O/c1-2-17(20(22-7-1)25-12-14-26-15-13-25)16-23-18-5-10-24(11-6-18)19-3-8-21-9-4-19/h1-4,7-9,18,23H,5-6,10-16H2
InChIKeyOEQZGIBRWMCYDR-UHFFFAOYSA-N
XLogP2.07
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-pyridin-4-ylpiperidin-4-amine?
The IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-pyridin-4-ylpiperidin-4-amine (CID 128543191) is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-pyridin-4-ylpiperidin-4-amine.
What is the SMILES notation for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-pyridin-4-ylpiperidin-4-amine?
The canonical SMILES for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-pyridin-4-ylpiperidin-4-amine is c1cnc(N2CCOCC2)c(CNC2CCN(c3ccncc3)CC2)c1.
What is the InChIKey of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-pyridin-4-ylpiperidin-4-amine?
The InChIKey is OEQZGIBRWMCYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-2-17(20(22-7-1)25-12-14-26-15-13-25)16-23-18-5-10-24(11-6-18)19-3-8-21-9-4-19/h1-4,7-9,18,23H,5-6,10-16H2.
What are the key properties of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-pyridin-4-ylpiperidin-4-amine?
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-pyridin-4-ylpiperidin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-pyridin-4-ylpiperidin-4-amine is sourced from PubChem (CID 128543191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).