3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol

C18H28FNO2 — CID 45132676

IUPAC3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol
SMILESCC(C)CCC(O)(CCN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C18H28FNO2/c1-15(2)7-8-18(21,16-3-5-17(19)6-4-16)9-10-20-11-13-22-14-12-20/h3-6,15,21H,7-14H2,1-2H3
InChIKeyJDCVGZLDECJNRB-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.17
Rot. Bonds7

About 3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol

3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol (PubChem CID 45132676) has the molecular formula C18H28FNO2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol
PubChem CID45132676
Molecular FormulaC18H28FNO2
Molecular Weight309.42 g/mol
Exact Mass309.21
IUPAC Name3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol
SMILESCC(C)CCC(O)(CCN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C18H28FNO2/c1-15(2)7-8-18(21,16-3-5-17(19)6-4-16)9-10-20-11-13-22-14-12-20/h3-6,15,21H,7-14H2,1-2H3
InChIKeyJDCVGZLDECJNRB-UHFFFAOYSA-N
XLogP3.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol
CID 34686638
3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 126476579
1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol
CID 134093965
1-(4-fluorophenyl)-4-morpholin-4-ylbutan-1-ol
CID 4132449
2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
CID 23940284
2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol;hydrochloride
CID 163342753
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
1-(4-fluorophenyl)-3-morpholin-4-yl-N-propylpropan-1-amine
CID 62643389
1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea
CID 113213344
2-methyl-4-morpholin-4-ylbutan-2-ol
CID 79316740
1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 43195499
N-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)propan-2-amine
CID 59028558

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol?
The IUPAC name of 3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol (CID 45132676) is 3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol?
The canonical SMILES for 3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol is CC(C)CCC(O)(CCN1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol?
The InChIKey is JDCVGZLDECJNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO2/c1-15(2)7-8-18(21,16-3-5-17(19)6-4-16)9-10-20-11-13-22-14-12-20/h3-6,15,21H,7-14H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol?
3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol has a molecular weight of 309.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol is sourced from PubChem (CID 45132676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).