2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline

C16H26N4O — CID 79174624

IUPAC2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline
SMILESCN1CCOC(CN2CCN(c3ccccc3N)CC2)C1
InChIInChI=1S/C16H26N4O/c1-18-10-11-21-14(12-18)13-19-6-8-20(9-7-19)16-5-3-2-4-15(16)17/h2-5,14H,6-13,17H2,1H3
InChIKeyDUXHHFDPIABAJV-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.72
Rot. Bonds3

About 2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline

2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline (PubChem CID 79174624) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline.

Molecular Properties

Compound Name2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline
PubChem CID79174624
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline
SMILESCN1CCOC(CN2CCN(c3ccccc3N)CC2)C1
InChIInChI=1S/C16H26N4O/c1-18-10-11-21-14(12-18)13-19-6-8-20(9-7-19)16-5-3-2-4-15(16)17/h2-5,14H,6-13,17H2,1H3
InChIKeyDUXHHFDPIABAJV-UHFFFAOYSA-N
XLogP0.72
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylmorpholin-4-yl)aniline
CID 43562435
2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline
CID 28800779
2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]aniline
CID 116522202
1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine
CID 79172400
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
CID 115278442
2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]aniline
CID 156796662
1-[(4-methylmorpholin-2-yl)methyl]indazol-3-amine
CID 79182312
ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine
CID 144702613
2-[1-[(4-methylmorpholin-2-yl)methyl]piperidin-4-yl]ethanamine
CID 79172349
4-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,4-oxazepane
CID 54379759
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid
CID 79182775
2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline
CID 43384244

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline?
The IUPAC name of 2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline (CID 79174624) is 2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline.
What is the SMILES notation for 2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline?
The canonical SMILES for 2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline is CN1CCOC(CN2CCN(c3ccccc3N)CC2)C1.
What is the InChIKey of 2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline?
The InChIKey is DUXHHFDPIABAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-18-10-11-21-14(12-18)13-19-6-8-20(9-7-19)16-5-3-2-4-15(16)17/h2-5,14H,6-13,17H2,1H3.
What are the key properties of 2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline?
2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline has a molecular weight of 290.41 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline is sourced from PubChem (CID 79174624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).