4-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine

C19H33N5O — CID 70770959

IUPAC4-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H33N5O/c1-22-18(15-23-11-13-25-14-12-23)20-21-19(22)16-7-9-24(10-8-16)17-5-3-2-4-6-17/h16-17H,2-15H2,1H3
InChIKeyWKLPOJKEEUXWFT-UHFFFAOYSA-N
MW347.51 g/mol
LogP2.16
Rot. Bonds4

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

4-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70770959) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 4-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70770959
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name4-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H33N5O/c1-22-18(15-23-11-13-25-14-12-23)20-21-19(22)16-7-9-24(10-8-16)17-5-3-2-4-6-17/h16-17H,2-15H2,1H3
InChIKeyWKLPOJKEEUXWFT-UHFFFAOYSA-N
XLogP2.16
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 70770959) is 4-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is Cn1c(CN2CCOCC2)nnc1C1CCN(C2CCCCC2)CC1.
What is the InChIKey of 4-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is WKLPOJKEEUXWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-22-18(15-23-11-13-25-14-12-23)20-21-19(22)16-7-9-24(10-8-16)17-5-3-2-4-6-17/h16-17H,2-15H2,1H3.
What are the key properties of 4-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 347.51 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70770959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).