(1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol

C17H25N5O — CID 95322228

IUPAC(1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol
SMILESCc1nnc(CN2CCN(C[C@H](O)c3ccccc3)CC2)n1C
InChIInChI=1S/C17H25N5O/c1-14-18-19-17(20(14)2)13-22-10-8-21(9-11-22)12-16(23)15-6-4-3-5-7-15/h3-7,16,23H,8-13H2,1-2H3/t16-/m0/s1
InChIKeyCTPNPSGLUXJPHX-INIZCTEOSA-N
MW315.42 g/mol
LogP0.97
Rot. Bonds5

About (1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol

(1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol (PubChem CID 95322228) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol
PubChem CID95322228
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol
SMILESCc1nnc(CN2CCN(C[C@H](O)c3ccccc3)CC2)n1C
InChIInChI=1S/C17H25N5O/c1-14-18-19-17(20(14)2)13-22-10-8-21(9-11-22)12-16(23)15-6-4-3-5-7-15/h3-7,16,23H,8-13H2,1-2H3/t16-/m0/s1
InChIKeyCTPNPSGLUXJPHX-INIZCTEOSA-N
XLogP0.97
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 56778681
(1S)-1-phenyl-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 95341722
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 111462476
(1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95161589
2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol
CID 112513599
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
(1S)-1-phenyl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanol
CID 95308586
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 121184292
N',4-dibenzyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110959876

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol (CID 95322228) is (1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol is Cc1nnc(CN2CCN(C[C@H](O)c3ccccc3)CC2)n1C.
What is the InChIKey of (1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The InChIKey is CTPNPSGLUXJPHX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N5O/c1-14-18-19-17(20(14)2)13-22-10-8-21(9-11-22)12-16(23)15-6-4-3-5-7-15/h3-7,16,23H,8-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol?
(1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol has a molecular weight of 315.42 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 95322228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).