N-benzyl-1-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-4-amine

C22H31N5O — CID 46977104

IUPACN-benzyl-1-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-4-amine
SMILESCN1CCC(N(Cc2ccccc2)Cc2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C22H31N5O/c1-25-11-8-21(9-12-25)27(17-19-5-3-2-4-6-19)18-20-7-10-23-22(24-20)26-13-15-28-16-14-26/h2-7,10,21H,8-9,11-18H2,1H3
InChIKeyANLIIRNRDXKZOV-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.41
Rot. Bonds6

About N-benzyl-1-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-4-amine

N-benzyl-1-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-4-amine (PubChem CID 46977104) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-benzyl-1-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-4-amine
PubChem CID46977104
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-benzyl-1-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-4-amine
SMILESCN1CCC(N(Cc2ccccc2)Cc2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C22H31N5O/c1-25-11-8-21(9-12-25)27(17-19-5-3-2-4-6-19)18-20-7-10-23-22(24-20)26-13-15-28-16-14-26/h2-7,10,21H,8-9,11-18H2,1H3
InChIKeyANLIIRNRDXKZOV-UHFFFAOYSA-N
XLogP2.41
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-benzyl-1-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 50968510
N-methyl-N-[1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]azepan-4-yl]-1-phenylmethanesulfonamide
CID 110151701
4-[4-(chloromethyl)pyrimidin-2-yl]morpholine
CID 62747047
N-benzyl-2-morpholin-4-ylpyrimidin-4-amine
CID 46891015
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699
N-methyl-1-(5-methylpyrazolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]methanamine
CID 75256925
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112885264
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541545
N-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497416
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
2,6-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]morpholine
CID 110225765

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-4-amine?
The IUPAC name of N-benzyl-1-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-4-amine (CID 46977104) is N-benzyl-1-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-benzyl-1-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-benzyl-1-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-4-amine is CN1CCC(N(Cc2ccccc2)Cc2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of N-benzyl-1-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-4-amine?
The InChIKey is ANLIIRNRDXKZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-25-11-8-21(9-12-25)27(17-19-5-3-2-4-6-19)18-20-7-10-23-22(24-20)26-13-15-28-16-14-26/h2-7,10,21H,8-9,11-18H2,1H3.
What are the key properties of N-benzyl-1-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-4-amine?
N-benzyl-1-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-4-amine has a molecular weight of 381.52 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 46977104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).