4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]thiomorpholine

C18H25N5S — CID 56885145

IUPAC4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]thiomorpholine
SMILESc1ccc(-n2cc(CN3CCC(N4CCSCC4)CC3)nn2)cc1
InChIInChI=1S/C18H25N5S/c1-2-4-18(5-3-1)23-15-16(19-20-23)14-21-8-6-17(7-9-21)22-10-12-24-13-11-22/h1-5,15,17H,6-14H2
InChIKeySKBIMKVDSWTLNQ-UHFFFAOYSA-N
MW343.50 g/mol
LogP2.28
Rot. Bonds4

About 4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]thiomorpholine

4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]thiomorpholine (PubChem CID 56885145) has the molecular formula C18H25N5S and a molecular weight of 343.50 g/mol. Its IUPAC name is 4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]thiomorpholine.

Molecular Properties

Compound Name4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]thiomorpholine
PubChem CID56885145
Molecular FormulaC18H25N5S
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC Name4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]thiomorpholine
SMILESc1ccc(-n2cc(CN3CCC(N4CCSCC4)CC3)nn2)cc1
InChIInChI=1S/C18H25N5S/c1-2-4-18(5-3-1)23-15-16(19-20-23)14-21-8-6-17(7-9-21)22-10-12-24-13-11-22/h1-5,15,17H,6-14H2
InChIKeySKBIMKVDSWTLNQ-UHFFFAOYSA-N
XLogP2.28
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]thiomorpholine?
The IUPAC name of 4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]thiomorpholine (CID 56885145) is 4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]thiomorpholine.
What is the SMILES notation for 4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]thiomorpholine?
The canonical SMILES for 4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]thiomorpholine is c1ccc(-n2cc(CN3CCC(N4CCSCC4)CC3)nn2)cc1.
What is the InChIKey of 4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]thiomorpholine?
The InChIKey is SKBIMKVDSWTLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5S/c1-2-4-18(5-3-1)23-15-16(19-20-23)14-21-8-6-17(7-9-21)22-10-12-24-13-11-22/h1-5,15,17H,6-14H2.
What are the key properties of 4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]thiomorpholine?
4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]thiomorpholine has a molecular weight of 343.50 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]thiomorpholine is sourced from PubChem (CID 56885145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).