[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

C18H21N3O3 — CID 95319016

IUPAC[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncccc1O)N1CCN(C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C18H21N3O3/c22-15-7-4-8-19-17(15)18(24)21-11-9-20(10-12-21)13-16(23)14-5-2-1-3-6-14/h1-8,16,22-23H,9-13H2/t16-/m1/s1
InChIKeyWQOSYVWEPCBLBZ-MRXNPFEDSA-N
MW327.38 g/mol
LogP1.28
Rot. Bonds4

About [4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 95319016) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
PubChem CID95319016
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncccc1O)N1CCN(C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C18H21N3O3/c22-15-7-4-8-19-17(15)18(24)21-11-9-20(10-12-21)13-16(23)14-5-2-1-3-6-14/h1-8,16,22-23H,9-13H2/t16-/m1/s1
InChIKeyWQOSYVWEPCBLBZ-MRXNPFEDSA-N
XLogP1.28
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone with MolForge

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Related Compounds

(3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95315165
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95351959
[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95601881
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone
CID 95321520
(2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95346732
[4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone
CID 119880014
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
CID 94085003
(2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95601930
[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 95582482
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-methylbutane-1,2-dione
CID 124744287

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of [4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (CID 95319016) is [4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for [4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is O=C(c1ncccc1O)N1CCN(C[C@@H](O)c2ccccc2)CC1.
What is the InChIKey of [4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is WQOSYVWEPCBLBZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-15-7-4-8-19-17(15)18(24)21-11-9-20(10-12-21)13-16(23)14-5-2-1-3-6-14/h1-8,16,22-23H,9-13H2/t16-/m1/s1.
What are the key properties of [4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone has a molecular weight of 327.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 95319016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).