(2S)-4-phenyl-2-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]morpholine

C18H25N5O — CID 164629601

IUPAC(2S)-4-phenyl-2-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]morpholine
SMILESc1ccc(N2CCO[C@@H](CN3CCC(n4cncn4)CC3)C2)cc1
InChIInChI=1S/C18H25N5O/c1-2-4-16(5-3-1)22-10-11-24-18(13-22)12-21-8-6-17(7-9-21)23-15-19-14-20-23/h1-5,14-15,17-18H,6-13H2/t18-/m0/s1
InChIKeyCQDGCJLXDYVSGQ-SFHVURJKSA-N
MW327.43 g/mol
LogP1.82
Rot. Bonds4

About (2S)-4-phenyl-2-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]morpholine

(2S)-4-phenyl-2-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]morpholine (PubChem CID 164629601) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-4-phenyl-2-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-4-phenyl-2-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]morpholine
PubChem CID164629601
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(2S)-4-phenyl-2-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]morpholine
SMILESc1ccc(N2CCO[C@@H](CN3CCC(n4cncn4)CC3)C2)cc1
InChIInChI=1S/C18H25N5O/c1-2-4-16(5-3-1)22-10-11-24-18(13-22)12-21-8-6-17(7-9-21)23-15-19-14-20-23/h1-5,14-15,17-18H,6-13H2/t18-/m0/s1
InChIKeyCQDGCJLXDYVSGQ-SFHVURJKSA-N
XLogP1.82
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-phenyl-2-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]morpholine?
The IUPAC name of (2S)-4-phenyl-2-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]morpholine (CID 164629601) is (2S)-4-phenyl-2-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]morpholine.
What is the SMILES notation for (2S)-4-phenyl-2-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]morpholine?
The canonical SMILES for (2S)-4-phenyl-2-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]morpholine is c1ccc(N2CCO[C@@H](CN3CCC(n4cncn4)CC3)C2)cc1.
What is the InChIKey of (2S)-4-phenyl-2-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]morpholine?
The InChIKey is CQDGCJLXDYVSGQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N5O/c1-2-4-16(5-3-1)22-10-11-24-18(13-22)12-21-8-6-17(7-9-21)23-15-19-14-20-23/h1-5,14-15,17-18H,6-13H2/t18-/m0/s1.
What are the key properties of (2S)-4-phenyl-2-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]morpholine?
(2S)-4-phenyl-2-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]morpholine has a molecular weight of 327.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-phenyl-2-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]morpholine is sourced from PubChem (CID 164629601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).