2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline

C18H29N3O — CID 156796662

IUPAC2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline
SMILESCC1CN(CC2CCN(c3ccccc3N)CC2)CC(C)O1
InChIInChI=1S/C18H29N3O/c1-14-11-20(12-15(2)22-14)13-16-7-9-21(10-8-16)18-6-4-3-5-17(18)19/h3-6,14-16H,7-13,19H2,1-2H3
InChIKeyXMTFWOQKWNORCN-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.59
Rot. Bonds3

About 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline

2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline (PubChem CID 156796662) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline.

Molecular Properties

Compound Name2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline
PubChem CID156796662
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline
SMILESCC1CN(CC2CCN(c3ccccc3N)CC2)CC(C)O1
InChIInChI=1S/C18H29N3O/c1-14-11-20(12-15(2)22-14)13-16-7-9-21(10-8-16)18-6-4-3-5-17(18)19/h3-6,14-16H,7-13,19H2,1-2H3
InChIKeyXMTFWOQKWNORCN-UHFFFAOYSA-N
XLogP2.59
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethane;2-[4-(oxan-4-ylmethyl)piperazin-1-yl]aniline
CID 156797075
2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline
CID 28800779
2,6-dimethyl-4-[[1-(3-methylsulfonyl-2-nitrophenyl)piperidin-4-yl]methyl]morpholine
CID 133432569
2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline
CID 121201019
5-chloro-2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]benzonitrile
CID 133447868
2-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline
CID 118979228
4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
CID 133447844
(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 129380912
1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 114677647
4-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]furo[3,2-c]pyridine
CID 97120477
2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline
CID 79174624
4-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine
CID 133469851

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline?
The IUPAC name of 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline (CID 156796662) is 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline.
What is the SMILES notation for 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline?
The canonical SMILES for 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline is CC1CN(CC2CCN(c3ccccc3N)CC2)CC(C)O1.
What is the InChIKey of 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline?
The InChIKey is XMTFWOQKWNORCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14-11-20(12-15(2)22-14)13-16-7-9-21(10-8-16)18-6-4-3-5-17(18)19/h3-6,14-16H,7-13,19H2,1-2H3.
What are the key properties of 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline?
2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline has a molecular weight of 303.45 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline is sourced from PubChem (CID 156796662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).