4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine

C16H25N3O — CID 167847529

IUPAC4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine
SMILESCN1CCN(Cc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C16H25N3O/c1-17-6-8-18(9-7-17)14-15-4-2-3-5-16(15)19-10-12-20-13-11-19/h2-5H,6-14H2,1H3
InChIKeyOVWFMRZVAQUCEE-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.27
Rot. Bonds3

About 4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine

4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine (PubChem CID 167847529) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine
PubChem CID167847529
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine
SMILESCN1CCN(Cc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C16H25N3O/c1-17-6-8-18(9-7-17)14-15-4-2-3-5-16(15)19-10-12-20-13-11-19/h2-5H,6-14H2,1H3
InChIKeyOVWFMRZVAQUCEE-UHFFFAOYSA-N
XLogP1.27
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,2-dimethylpropyl)phenyl]morpholine
CID 58063137
1-[2-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-4-methylpiperazine
CID 166093263
4-[2-[[3-(5-methyl-1,2-oxazol-3-yl)azetidin-1-yl]methyl]phenyl]morpholine
CID 166290301
2-methyl-1-(2-morpholin-4-ylphenyl)propan-2-amine
CID 82620484
N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 117343517
1-(2-morpholin-4-ylphenyl)propan-2-ol
CID 83674895
4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine
CID 170869798
2-[4-(hydroxymethyl)-1-[(2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 167884756
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711
2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]aniline
CID 12973962
(2R)-4-[(2-morpholin-4-ylphenyl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 97147456
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine?
The IUPAC name of 4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine (CID 167847529) is 4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine.
What is the SMILES notation for 4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine?
The canonical SMILES for 4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine is CN1CCN(Cc2ccccc2N2CCOCC2)CC1.
What is the InChIKey of 4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine?
The InChIKey is OVWFMRZVAQUCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-17-6-8-18(9-7-17)14-15-4-2-3-5-16(15)19-10-12-20-13-11-19/h2-5H,6-14H2,1H3.
What are the key properties of 4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine?
4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine has a molecular weight of 275.40 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine is sourced from PubChem (CID 167847529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).