(3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol

C18H28ClNO2 — CID 34686638

IUPAC(3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol
SMILESCC(C)CC[C@@](O)(CCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClNO2/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/t18-/m1/s1
InChIKeyUJRBNYNJUHBHGB-GOSISDBHSA-N
MW325.88 g/mol
LogP3.69
Rot. Bonds7

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

(3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol (PubChem CID 34686638) has the molecular formula C18H28ClNO2 and a molecular weight of 325.88 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol
PubChem CID34686638
Molecular FormulaC18H28ClNO2
Molecular Weight325.88 g/mol
Exact Mass325.18
IUPAC Name(3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol
SMILESCC(C)CC[C@@](O)(CCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClNO2/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/t18-/m1/s1
InChIKeyUJRBNYNJUHBHGB-GOSISDBHSA-N
XLogP3.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol
CID 45132676
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
1-(4-chlorophenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 4072683
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
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1-morpholin-4-ylhexan-3-ol
CID 23606587
4-chloro-N-[4-methyl-1-(1-morpholin-4-ylpropan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 55715611
1-[3-(4-chlorophenyl)-3-methylbutyl]-4-(oxan-4-yl)piperidine
CID 142475420
2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 146052076
(2R,3R)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1-morpholin-4-ylhexan-3-ol
CID 29184797
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
CID 23606585

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol?
The IUPAC name of (3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol (CID 34686638) is (3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol is CC(C)CC[C@@](O)(CCN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol?
The InChIKey is UJRBNYNJUHBHGB-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28ClNO2/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/t18-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol?
(3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol has a molecular weight of 325.88 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol is sourced from PubChem (CID 34686638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).