ethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate

C21H32FN3O3 — CID 51904944

IUPACethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCN(Cc3ccccc3F)[C@H](CCO)C2)CC1
InChIInChI=1S/C21H32FN3O3/c1-2-28-21(27)23-10-7-18(8-11-23)25-13-12-24(19(16-25)9-14-26)15-17-5-3-4-6-20(17)22/h3-6,18-19,26H,2,7-16H2,1H3/t19-/m1/s1
InChIKeyDZYPOOUNFJVDTQ-LJQANCHMSA-N
MW393.50 g/mol
LogP2.32
Rot. Bonds6

About ethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate

ethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate (PubChem CID 51904944) has the molecular formula C21H32FN3O3 and a molecular weight of 393.50 g/mol. Its IUPAC name is ethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate
PubChem CID51904944
Molecular FormulaC21H32FN3O3
Molecular Weight393.50 g/mol
Exact Mass393.24
IUPAC Nameethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCN(Cc3ccccc3F)[C@H](CCO)C2)CC1
InChIInChI=1S/C21H32FN3O3/c1-2-28-21(27)23-10-7-18(8-11-23)25-13-12-24(19(16-25)9-14-26)15-17-5-3-4-6-20(17)22/h3-6,18-19,26H,2,7-16H2,1H3/t19-/m1/s1
InChIKeyDZYPOOUNFJVDTQ-LJQANCHMSA-N
XLogP2.32
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate 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

ethyl 4-[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]piperidine-1-carboxylate
CID 45248442
ethyl 4-[(3S)-4-(2,2-dimethylpropyl)-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate
CID 29151834
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-4-[1-(2-fluorophenyl)piperidin-4-yl]piperazin-2-yl]ethanol
CID 98586511
ethyl 4-[(3R)-3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]piperidine-1-carboxylate
CID 26393783
2-[(2S)-4-(2-ethoxyethyl)-1-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 99963545
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 30733578
1-[4-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]piperidin-1-yl]ethanone
CID 29025523
ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 26241437
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(thian-4-yl)piperazin-2-yl]ethanol
CID 45225286
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280
ethyl 4-[[2-[(2-fluorophenyl)methylamino]-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531509
ethyl 4-[[3-[(2-fluorophenyl)methylamino]-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108946231

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate (CID 51904944) is ethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCN(Cc3ccccc3F)[C@H](CCO)C2)CC1.
What is the InChIKey of ethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate?
The InChIKey is DZYPOOUNFJVDTQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H32FN3O3/c1-2-28-21(27)23-10-7-18(8-11-23)25-13-12-24(19(16-25)9-14-26)15-17-5-3-4-6-20(17)22/h3-6,18-19,26H,2,7-16H2,1H3/t19-/m1/s1.
What are the key properties of ethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate?
ethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate has a molecular weight of 393.50 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3R)-4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 51904944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).