benzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate

C19H23N3O3 — CID 122435525

IUPACbenzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(Cc2ccc(O)cn2)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-15-12-21(13-17-7-8-18(23)11-20-17)9-10-22(15)19(24)25-14-16-5-3-2-4-6-16/h2-8,11,15,23H,9-10,12-14H2,1H3/t15-/m1/s1
InChIKeyIXAOIONEQLABDS-OAHLLOKOSA-N
MW341.41 g/mol
LogP2.63
Rot. Bonds4

About benzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate

benzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate (PubChem CID 122435525) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is benzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate
PubChem CID122435525
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namebenzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(Cc2ccc(O)cn2)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-15-12-21(13-17-7-8-18(23)11-20-17)9-10-22(15)19(24)25-14-16-5-3-2-4-6-16/h2-8,11,15,23H,9-10,12-14H2,1H3/t15-/m1/s1
InChIKeyIXAOIONEQLABDS-OAHLLOKOSA-N
XLogP2.63
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-ethyl-2-methylpiperazine-1-carboxylate
CID 71023009
benzyl (2S)-4-ethyl-2-methylpiperazine-1-carboxylate
CID 71023012
benzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate;benzyl (2R)-2-methylpiperazine-1-carboxylate;(3R)-1-[[5-(2-fluoroethoxy)-2-pyridinyl]methyl]-3-methylpiperazine;5-hydroxypyridine-2-carbaldehyde
CID 160760983
benzyl 2,4-dimethylpiperazine-1-carboxylate
CID 110707785
benzyl (2R)-4-[(3-amino-2-fluorophenyl)methyl]-2-methylpiperazine-1-carboxylate
CID 58919233
benzyl 2,4-dimethyl-1,4-diazepane-1-carboxylate
CID 130581143
benzyl (2S)-4-(2-chloroacetyl)-2-methylpiperazine-1-carboxylate
CID 96554961
tert-butyl (2S)-2-methyl-4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 175984578
benzyl 2,4-dimethylazepane-1-carboxylate
CID 118248110
benzyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 166141672
benzyl (2S)-2-[[(3R)-4-acetyl-3-methylpiperazin-1-yl]methyl]-5-ethylpyrrolidine-1-carboxylate
CID 58007371
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate?
The IUPAC name of benzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate (CID 122435525) is benzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate?
The canonical SMILES for benzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate is C[C@@H]1CN(Cc2ccc(O)cn2)CCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate?
The InChIKey is IXAOIONEQLABDS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-15-12-21(13-17-7-8-18(23)11-20-17)9-10-22(15)19(24)25-14-16-5-3-2-4-6-16/h2-8,11,15,23H,9-10,12-14H2,1H3/t15-/m1/s1.
What are the key properties of benzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate?
benzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-4-[(5-hydroxy-2-pyridinyl)methyl]-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 122435525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).