(4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone

C13H17FN2O2 — CID 82756256

IUPAC(4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCNC[C@H]2C)ccc1F
InChIInChI=1S/C13H17FN2O2/c1-9-8-15-5-6-16(9)13(17)10-3-4-11(14)12(7-10)18-2/h3-4,7,9,15H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeySBVJOXKXYXKBRY-SECBINFHSA-N
MW252.29 g/mol
LogP1.27
Rot. Bonds2

About (4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone

(4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone (PubChem CID 82756256) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
PubChem CID82756256
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name(4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCNC[C@H]2C)ccc1F
InChIInChI=1S/C13H17FN2O2/c1-9-8-15-5-6-16(9)13(17)10-3-4-11(14)12(7-10)18-2/h3-4,7,9,15H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeySBVJOXKXYXKBRY-SECBINFHSA-N
XLogP1.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705366
(3-bromo-4-methoxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705661
(4-bromo-3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704738
(3-methoxy-4-nitrophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866782
(3-methoxy-4-nitrophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 103866731
N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119471204
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
(4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115312129
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
(3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472994
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone (CID 82756256) is (4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone is COc1cc(C(=O)N2CCNC[C@H]2C)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The InChIKey is SBVJOXKXYXKBRY-SECBINFHSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9-8-15-5-6-16(9)13(17)10-3-4-11(14)12(7-10)18-2/h3-4,7,9,15H,5-6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
(4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone has a molecular weight of 252.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 82756256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).