(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine

C18H26N4O2 — CID 129344444

IUPAC(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine
SMILESCCn1cnnc1[C@H]1CN(CCCc2cccc(OC)c2)CCO1
InChIInChI=1S/C18H26N4O2/c1-3-22-14-19-20-18(22)17-13-21(10-11-24-17)9-5-7-15-6-4-8-16(12-15)23-2/h4,6,8,12,14,17H,3,5,7,9-11,13H2,1-2H3/t17-/m1/s1
InChIKeyZLBVDFQRGHUIJV-QGZVFWFLSA-N
MW330.43 g/mol
LogP2.31
Rot. Bonds7

About (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine

(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine (PubChem CID 129344444) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine
PubChem CID129344444
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine
SMILESCCn1cnnc1[C@H]1CN(CCCc2cccc(OC)c2)CCO1
InChIInChI=1S/C18H26N4O2/c1-3-22-14-19-20-18(22)17-13-21(10-11-24-17)9-5-7-15-6-4-8-16(12-15)23-2/h4,6,8,12,14,17H,3,5,7,9-11,13H2,1-2H3/t17-/m1/s1
InChIKeyZLBVDFQRGHUIJV-QGZVFWFLSA-N
XLogP2.31
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(3-propan-2-yloxypropyl)morpholine
CID 129335737
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
4-[2-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile
CID 129332456
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine
CID 129343525
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 129344159
4-[[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-3-methoxybenzonitrile
CID 129335963
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]morpholine
CID 129330303
(2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129331530
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine
CID 129332140
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 129340570
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
(2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129338594

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine?
The IUPAC name of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine (CID 129344444) is (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine.
What is the SMILES notation for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine?
The canonical SMILES for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine is CCn1cnnc1[C@H]1CN(CCCc2cccc(OC)c2)CCO1.
What is the InChIKey of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine?
The InChIKey is ZLBVDFQRGHUIJV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-22-14-19-20-18(22)17-13-21(10-11-24-17)9-5-7-15-6-4-8-16(12-15)23-2/h4,6,8,12,14,17H,3,5,7,9-11,13H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine?
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine has a molecular weight of 330.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine is sourced from PubChem (CID 129344444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).