methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate

C19H23N3O3 — CID 97280710

IUPACmethyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCN(c3cccc([C@H](C)O)n3)CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-14(23)17-4-3-5-18(20-17)22-12-10-21(11-13-22)16-8-6-15(7-9-16)19(24)25-2/h3-9,14,23H,10-13H2,1-2H3/t14-/m0/s1
InChIKeyOJSFPARPHCCZHL-AWEZNQCLSA-N
MW341.41 g/mol
LogP2.25
Rot. Bonds4

About methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate

methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate (PubChem CID 97280710) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate
PubChem CID97280710
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCN(c3cccc([C@H](C)O)n3)CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-14(23)17-4-3-5-18(20-17)22-12-10-21(11-13-22)16-8-6-15(7-9-16)19(24)25-2/h3-9,14,23H,10-13H2,1-2H3/t14-/m0/s1
InChIKeyOJSFPARPHCCZHL-AWEZNQCLSA-N
XLogP2.25
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate 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

(1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol
CID 97452088
methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 69129778
4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide
CID 75524435
1-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 171335167
1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 138052956
methyl 4-[4-[(2-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113907
6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173099499
methyl 4-[4-[2-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]benzoate
CID 70719736
2-(6-morpholin-4-yl-2-pyridinyl)propanoic acid
CID 83897074
methyl 4-[4-[(4-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112397
methyl 4-[4-(2-phenylethylcarbamoyl)piperazin-1-yl]benzoate
CID 113108908
methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113631

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate?
The IUPAC name of methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate (CID 97280710) is methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate.
What is the SMILES notation for methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate?
The canonical SMILES for methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate is COC(=O)c1ccc(N2CCN(c3cccc([C@H](C)O)n3)CC2)cc1.
What is the InChIKey of methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate?
The InChIKey is OJSFPARPHCCZHL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14(23)17-4-3-5-18(20-17)22-12-10-21(11-13-22)16-8-6-15(7-9-16)19(24)25-2/h3-9,14,23H,10-13H2,1-2H3/t14-/m0/s1.
What are the key properties of methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate?
methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate has a molecular weight of 341.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate is sourced from PubChem (CID 97280710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).