4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine

C27H45N3O3 — CID 170870147

IUPAC4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
SMILESc1c(CCCN2CCOCC2)cc(CCCN2CCOCC2)cc1CCCN1CCOCC1
InChIInChI=1S/C27H45N3O3/c1(7-28-10-16-31-17-11-28)4-25-22-26(5-2-8-29-12-18-32-19-13-29)24-27(23-25)6-3-9-30-14-20-33-21-15-30/h22-24H,1-21H2
InChIKeyPLKCYDAAYGUMDJ-UHFFFAOYSA-N
MW459.68 g/mol
LogP2.48
Rot. Bonds12

About 4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine

4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine (PubChem CID 170870147) has the molecular formula C27H45N3O3 and a molecular weight of 459.68 g/mol. Its IUPAC name is 4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
PubChem CID170870147
Molecular FormulaC27H45N3O3
Molecular Weight459.68 g/mol
Exact Mass459.35
IUPAC Name4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
SMILESc1c(CCCN2CCOCC2)cc(CCCN2CCOCC2)cc1CCCN1CCOCC1
InChIInChI=1S/C27H45N3O3/c1(7-28-10-16-31-17-11-28)4-25-22-26(5-2-8-29-12-18-32-19-13-29)24-27(23-25)6-3-9-30-14-20-33-21-15-30/h22-24H,1-21H2
InChIKeyPLKCYDAAYGUMDJ-UHFFFAOYSA-N
XLogP2.48
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.68
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol
CID 170869303
4-[3-(4-iodophenyl)propyl]morpholine
CID 143873101
4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine
CID 170869712
4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine
CID 170869742
4-[3-(5-methyl-3-pyridinyl)propyl]morpholine
CID 70853506
4-(3-quinoxalin-6-ylpropyl)morpholine
CID 170869858
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
3-(3-morpholin-4-ylpropyl)benzonitrile
CID 86190356
4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine
CID 170869835
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-(4-morpholin-4-ylbutyl)phenol
CID 82188001

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine (CID 170870147) is 4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine is c1c(CCCN2CCOCC2)cc(CCCN2CCOCC2)cc1CCCN1CCOCC1.
What is the InChIKey of 4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine?
The InChIKey is PLKCYDAAYGUMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45N3O3/c1(7-28-10-16-31-17-11-28)4-25-22-26(5-2-8-29-12-18-32-19-13-29)24-27(23-25)6-3-9-30-14-20-33-21-15-30/h22-24H,1-21H2.
What are the key properties of 4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine?
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine has a molecular weight of 459.68 g/mol, XLogP of 2.48, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine is sourced from PubChem (CID 170870147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).