4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine

C18H29N3O — CID 170869835

IUPAC4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine
SMILESCN1CCN(c2ccc(CCCN3CCOCC3)cc2)CC1
InChIInChI=1S/C18H29N3O/c1-19-9-11-21(12-10-19)18-6-4-17(5-7-18)3-2-8-20-13-15-22-16-14-20/h4-7H,2-3,8-16H2,1H3
InChIKeyPSDNTBNQBAIKMG-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.70
Rot. Bonds5

About 4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine

4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine (PubChem CID 170869835) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine
PubChem CID170869835
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine
SMILESCN1CCN(c2ccc(CCCN3CCOCC3)cc2)CC1
InChIInChI=1S/C18H29N3O/c1-19-9-11-21(12-10-19)18-6-4-17(5-7-18)3-2-8-20-13-15-22-16-14-20/h4-7H,2-3,8-16H2,1H3
InChIKeyPSDNTBNQBAIKMG-UHFFFAOYSA-N
XLogP1.70
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-iodophenyl)propyl]morpholine
CID 143873101
1-[4-(3-fluoropropyl)phenyl]-4-methylpiperazine
CID 135188571
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
2-[(4-methylpiperazin-1-yl)methyl]-4-(3-morpholin-4-ylpropyl)phenol
CID 170870620
4-(4-morpholin-4-ylbutyl)phenol
CID 82188001
1-methyl-4-[4-(5,5,5-trifluoropentyl)phenyl]piperazine
CID 142952246
N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892160
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
4-[4-[3-(4-methylpiperazin-1-yl)propyl]-2-nitrophenyl]morpholine
CID 170863085
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine (CID 170869835) is 4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine is CN1CCN(c2ccc(CCCN3CCOCC3)cc2)CC1.
What is the InChIKey of 4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine?
The InChIKey is PSDNTBNQBAIKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-19-9-11-21(12-10-19)18-6-4-17(5-7-18)3-2-8-20-13-15-22-16-14-20/h4-7H,2-3,8-16H2,1H3.
What are the key properties of 4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine?
4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine has a molecular weight of 303.45 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine is sourced from PubChem (CID 170869835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).