N-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline

C17H27N3O — CID 62659401

IUPACN-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline
SMILESCN1CCCC(CNc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C17H27N3O/c1-19-8-4-5-15(14-19)13-18-16-6-2-3-7-17(16)20-9-11-21-12-10-20/h2-3,6-7,15,18H,4-5,8-14H2,1H3
InChIKeyWLOXUKWEEVANEB-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.28
Rot. Bonds4

About N-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline

N-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline (PubChem CID 62659401) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline
PubChem CID62659401
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline
SMILESCN1CCCC(CNc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C17H27N3O/c1-19-8-4-5-15(14-19)13-18-16-6-2-3-7-17(16)20-9-11-21-12-10-20/h2-3,6-7,15,18H,4-5,8-14H2,1H3
InChIKeyWLOXUKWEEVANEB-UHFFFAOYSA-N
XLogP2.28
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline
CID 62385049
1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine
CID 65070370
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
CID 43229105
2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655606
1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol
CID 62658137
3-bromo-2-methyl-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 107629665
N-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 62655412
N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline
CID 80553691
N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
2-[cyclohexylmethyl(methyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 46570974
2-fluoro-6-[(1-methylpiperidin-3-yl)methylamino]benzoic acid
CID 79522921
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
CID 108966794

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline (CID 62659401) is N-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline is CN1CCCC(CNc2ccccc2N2CCOCC2)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline?
The InChIKey is WLOXUKWEEVANEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19-8-4-5-15(14-19)13-18-16-6-2-3-7-17(16)20-9-11-21-12-10-20/h2-3,6-7,15,18H,4-5,8-14H2,1H3.
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline?
N-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline has a molecular weight of 289.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline is sourced from PubChem (CID 62659401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).