(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone

C12H16N2O2 — CID 81426598

IUPAC(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(O)c2)CCN1
InChIInChI=1S/C12H16N2O2/c1-9-8-14(6-5-13-9)12(16)10-3-2-4-11(15)7-10/h2-4,7,9,13,15H,5-6,8H2,1H3/t9-/m1/s1
InChIKeyANXGWRLADBEQEU-SECBINFHSA-N
MW220.27 g/mol
LogP0.83
Rot. Bonds1

About (3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone

(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 81426598) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID81426598
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(O)c2)CCN1
InChIInChI=1S/C12H16N2O2/c1-9-8-14(6-5-13-9)12(16)10-3-2-4-11(15)7-10/h2-4,7,9,13,15H,5-6,8H2,1H3/t9-/m1/s1
InChIKeyANXGWRLADBEQEU-SECBINFHSA-N
XLogP0.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(3S)-3-methylpiperazine-1-carbonyl]benzoate
CID 176515178
[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
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cyclopropyl-[4-[3-[(3R)-3-methylpiperazine-1-carbonyl]phenyl]phenyl]methanone
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[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 166233275
[(3S)-3-methylpiperazin-1-yl]-[3-(4-methylsulfonylphenyl)phenyl]methanone
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(2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 64979494
(3-hydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62973507
(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
N-methyl-3-(3-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119578603
(2,3-dihydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104894013
(3-bromo-4-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 102612021
(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 115353693

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone (CID 81426598) is (3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone is C[C@@H]1CN(C(=O)c2cccc(O)c2)CCN1.
What is the InChIKey of (3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is ANXGWRLADBEQEU-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-8-14(6-5-13-9)12(16)10-3-2-4-11(15)7-10/h2-4,7,9,13,15H,5-6,8H2,1H3/t9-/m1/s1.
What are the key properties of (3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone?
(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 220.27 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 81426598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).