3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol

C19H24N2O — CID 56974492

IUPAC3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol
SMILESC[C@@H]1CN(C(c2ccccc2)c2cccc(O)c2)[C@@H](C)CN1
InChIInChI=1S/C19H24N2O/c1-14-13-21(15(2)12-20-14)19(16-7-4-3-5-8-16)17-9-6-10-18(22)11-17/h3-11,14-15,19-20,22H,12-13H2,1-2H3/t14-,15+,19?/m1/s1
InChIKeyHWGUPANSJKQFNP-DALSXFDMSA-N
MW296.41 g/mol
LogP3.16
Rot. Bonds3

About 3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol

3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol (PubChem CID 56974492) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol.

Molecular Properties

Compound Name3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol
PubChem CID56974492
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol
SMILESC[C@@H]1CN(C(c2ccccc2)c2cccc(O)c2)[C@@H](C)CN1
InChIInChI=1S/C19H24N2O/c1-14-13-21(15(2)12-20-14)19(16-7-4-3-5-8-16)17-9-6-10-18(22)11-17/h3-11,14-15,19-20,22H,12-13H2,1-2H3/t14-,15+,19?/m1/s1
InChIKeyHWGUPANSJKQFNP-DALSXFDMSA-N
XLogP3.16
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-benzofuran-2-yl-(3-methylphenyl)methyl]-2,5-dimethylpiperazine
CID 20612350
2-(3-hydroxyphenyl)-2-(3-methylpiperazin-1-yl)acetic acid
CID 83977931
1-[(3-methoxyphenyl)-naphthalen-1-ylmethyl]-2,5-dimethylpiperazine
CID 23447952
1-[4-[(S)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]phenyl]ethanone
CID 147218247
(2R,5S)-1-[(2-bromophenyl)-(4-fluorophenyl)methyl]-2,5-dimethylpiperazine
CID 146529572
(2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 64979494
3-[(R)-(4-bromophenyl)-[(2R,5S)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]methyl]phenol
CID 57040521
(3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine
CID 68931032
3-[(S)-[(2S,5R)-4-[(2-iodophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-thiophen-3-ylmethyl]phenol
CID 73334873
2-[4-[(3-hydroxyphenyl)-[4-(2H-tetrazol-5-yl)phenyl]methyl]-2,5-dimethylpiperazin-1-yl]acetic acid
CID 18671811
3-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]benzoic acid
CID 10237363
[4-[(R)-(3-hydroxyphenyl)-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 54338720

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol?
The IUPAC name of 3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol (CID 56974492) is 3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol.
What is the SMILES notation for 3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol?
The canonical SMILES for 3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol is C[C@@H]1CN(C(c2ccccc2)c2cccc(O)c2)[C@@H](C)CN1.
What is the InChIKey of 3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol?
The InChIKey is HWGUPANSJKQFNP-DALSXFDMSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14-13-21(15(2)12-20-14)19(16-7-4-3-5-8-16)17-9-6-10-18(22)11-17/h3-11,14-15,19-20,22H,12-13H2,1-2H3/t14-,15+,19?/m1/s1.
What are the key properties of 3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol?
3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol has a molecular weight of 296.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol is sourced from PubChem (CID 56974492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).