(2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine

C19H26ClN5O — CID 97455033

IUPAC(2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCN1CCC(n2nc(-c3ccc(Cl)cc3)nc2C[C@H]2CNCCO2)CC1
InChIInChI=1S/C19H26ClN5O/c1-24-9-6-16(7-10-24)25-18(12-17-13-21-8-11-26-17)22-19(23-25)14-2-4-15(20)5-3-14/h2-5,16-17,21H,6-13H2,1H3/t17-/m0/s1
InChIKeyHPNINVUBEQSITG-KRWDZBQOSA-N
MW375.90 g/mol
LogP2.40
Rot. Bonds4

About (2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine

(2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 97455033) has the molecular formula C19H26ClN5O and a molecular weight of 375.90 g/mol. Its IUPAC name is (2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID97455033
Molecular FormulaC19H26ClN5O
Molecular Weight375.90 g/mol
Exact Mass375.18
IUPAC Name(2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCN1CCC(n2nc(-c3ccc(Cl)cc3)nc2C[C@H]2CNCCO2)CC1
InChIInChI=1S/C19H26ClN5O/c1-24-9-6-16(7-10-24)25-18(12-17-13-21-8-11-26-17)22-19(23-25)14-2-4-15(20)5-3-14/h2-5,16-17,21H,6-13H2,1H3/t17-/m0/s1
InChIKeyHPNINVUBEQSITG-KRWDZBQOSA-N
XLogP2.40
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine with MolForge

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Related Compounds

2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine
CID 115473204
(2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95224109
2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride
CID 171686957
2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 104880695
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone
CID 119839942
2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine
CID 66420976
2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine
CID 66434955
2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]morpholine
CID 66434375
2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 66433751
1-(4-chlorophenyl)-2-morpholin-2-ylethanone
CID 116586223
2-[(4-chlorophenoxy)methyl]morpholine
CID 19964403
2-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66434034

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of (2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine (CID 97455033) is (2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for (2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for (2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine is CN1CCC(n2nc(-c3ccc(Cl)cc3)nc2C[C@H]2CNCCO2)CC1.
What is the InChIKey of (2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is HPNINVUBEQSITG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26ClN5O/c1-24-9-6-16(7-10-24)25-18(12-17-13-21-8-11-26-17)22-19(23-25)14-2-4-15(20)5-3-14/h2-5,16-17,21H,6-13H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
(2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 375.90 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 97455033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).