(5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone

C19H28FN3O — CID 95312485

IUPAC(5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(F)cc1C(=O)N1CCN(C[C@@H]2CCCCN2C)CC1
InChIInChI=1S/C19H28FN3O/c1-15-6-7-16(20)13-18(15)19(24)23-11-9-22(10-12-23)14-17-5-3-4-8-21(17)2/h6-7,13,17H,3-5,8-12,14H2,1-2H3/t17-/m0/s1
InChIKeyWNMRLKLOTQYRRM-KRWDZBQOSA-N
MW333.45 g/mol
LogP2.38
Rot. Bonds3

About (5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone

(5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 95312485) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID95312485
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name(5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(F)cc1C(=O)N1CCN(C[C@@H]2CCCCN2C)CC1
InChIInChI=1S/C19H28FN3O/c1-15-6-7-16(20)13-18(15)19(24)23-11-9-22(10-12-23)14-17-5-3-4-8-21(17)2/h6-7,13,17H,3-5,8-12,14H2,1-2H3/t17-/m0/s1
InChIKeyWNMRLKLOTQYRRM-KRWDZBQOSA-N
XLogP2.38
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone
CID 86949275
[4-(2-aminoethyl)piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63049798
[4-(2-aminoethyl)-1,4-diazepan-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63049975
[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 95615876
(2-ethoxyphenyl)-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95304741
(5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636460
(5-fluoro-2-methylphenyl)-[4-(2-methylsulfonylethyl)-1,4-diazepan-1-yl]methanone
CID 134704091
1-[1-(5-fluoro-2-methylbenzoyl)azepan-2-yl]propan-2-one
CID 79541273
(5-ethyl-4-methylthiophen-2-yl)-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95615880
(5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79540818
[2-(bromomethyl)pyrrolidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 80677688
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(5-fluoro-2-methylphenyl)methanone
CID 135120025

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone (CID 95312485) is (5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone is Cc1ccc(F)cc1C(=O)N1CCN(C[C@@H]2CCCCN2C)CC1.
What is the InChIKey of (5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is WNMRLKLOTQYRRM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-15-6-7-16(20)13-18(15)19(24)23-11-9-22(10-12-23)14-17-5-3-4-8-21(17)2/h6-7,13,17H,3-5,8-12,14H2,1-2H3/t17-/m0/s1.
What are the key properties of (5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone?
(5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 333.45 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95312485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).