4-[3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propyl]morpholine

C23H29NO — CID 170869416

IUPAC4-[3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propyl]morpholine
SMILESc1cc2cc(c1)CCc1ccc(cc1CCCN1CCOCC1)CC2
InChIInChI=1S/C23H29NO/c1-3-19-6-7-21-9-11-22(10-8-20(4-1)17-19)23(18-21)5-2-12-24-13-15-25-16-14-24/h1,3-4,9,11,17-18H,2,5-8,10,12-16H2
InChIKeyOLKNLEYRMKQGDT-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.84
Rot. Bonds4

About 4-[3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propyl]morpholine

4-[3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propyl]morpholine (PubChem CID 170869416) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 4-[3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propyl]morpholine
PubChem CID170869416
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name4-[3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propyl]morpholine
SMILESc1cc2cc(c1)CCc1ccc(cc1CCCN1CCOCC1)CC2
InChIInChI=1S/C23H29NO/c1-3-19-6-7-21-9-11-22(10-8-20(4-1)17-19)23(18-21)5-2-12-24-13-15-25-16-14-24/h1,3-4,9,11,17-18H,2,5-8,10,12-16H2
InChIKeyOLKNLEYRMKQGDT-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propyl]piperazine
CID 19878391
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-[3-(2,3-dihydro-1H-indol-7-yl)propyl]morpholine
CID 115105401
4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine
CID 170869353
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine
CID 170869798
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
2-(4-morpholin-4-ylbutyl)phenol
CID 142043469
4-[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propyl]morpholine
CID 170869380
4-[3-(1-methylindol-4-yl)propyl]morpholine
CID 170870710
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869738

Frequently Asked Questions

What is the IUPAC name of 4-[3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propyl]morpholine?
The IUPAC name of 4-[3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propyl]morpholine (CID 170869416) is 4-[3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propyl]morpholine is c1cc2cc(c1)CCc1ccc(cc1CCCN1CCOCC1)CC2.
What is the InChIKey of 4-[3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propyl]morpholine?
The InChIKey is OLKNLEYRMKQGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-3-19-6-7-21-9-11-22(10-8-20(4-1)17-19)23(18-21)5-2-12-24-13-15-25-16-14-24/h1,3-4,9,11,17-18H,2,5-8,10,12-16H2.
What are the key properties of 4-[3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propyl]morpholine?
4-[3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propyl]morpholine has a molecular weight of 335.49 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(12-tricyclo[9.2.2.14,8]hexadeca-1(13),4(16),5,7,11,14-hexaenyl)propyl]morpholine is sourced from PubChem (CID 170869416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).