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

C20H35N5O — CID 70735359

IUPAC4-[[5-(1-cycloheptylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C20H35N5O/c1-23-19(16-24-12-14-26-15-13-24)21-22-20(23)17-8-10-25(11-9-17)18-6-4-2-3-5-7-18/h17-18H,2-16H2,1H3
InChIKeyGRIDUUIDRSCXRE-UHFFFAOYSA-N
MW361.53 g/mol
LogP2.55
Rot. Bonds4

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

4-[[5-(1-cycloheptylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70735359) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is 4-[[5-(1-cycloheptylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(1-cycloheptylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70735359
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC Name4-[[5-(1-cycloheptylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C20H35N5O/c1-23-19(16-24-12-14-26-15-13-24)21-22-20(23)17-8-10-25(11-9-17)18-6-4-2-3-5-7-18/h17-18H,2-16H2,1H3
InChIKeyGRIDUUIDRSCXRE-UHFFFAOYSA-N
XLogP2.55
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-cycloheptylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(1-cycloheptylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 70735359) is 4-[[5-(1-cycloheptylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(1-cycloheptylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(1-cycloheptylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is Cn1c(CN2CCOCC2)nnc1C1CCN(C2CCCCCC2)CC1.
What is the InChIKey of 4-[[5-(1-cycloheptylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is GRIDUUIDRSCXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-23-19(16-24-12-14-26-15-13-24)21-22-20(23)17-8-10-25(11-9-17)18-6-4-2-3-5-7-18/h17-18H,2-16H2,1H3.
What are the key properties of 4-[[5-(1-cycloheptylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[5-(1-cycloheptylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 361.53 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-cycloheptylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70735359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).