1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutane-1,4-dione

C19H27FN2O2 — CID 71873270

IUPAC1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutane-1,4-dione
SMILESCC(CC(=O)c1cccc(F)c1)C(=O)N1CCC(CN(C)C)CC1
InChIInChI=1S/C19H27FN2O2/c1-14(11-18(23)16-5-4-6-17(20)12-16)19(24)22-9-7-15(8-10-22)13-21(2)3/h4-6,12,14-15H,7-11,13H2,1-3H3
InChIKeyWUQJBMDRGMUXKZ-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.83
Rot. Bonds6

About 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutane-1,4-dione

1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutane-1,4-dione (PubChem CID 71873270) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutane-1,4-dione.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutane-1,4-dione
PubChem CID71873270
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutane-1,4-dione
SMILESCC(CC(=O)c1cccc(F)c1)C(=O)N1CCC(CN(C)C)CC1
InChIInChI=1S/C19H27FN2O2/c1-14(11-18(23)16-5-4-6-17(20)12-16)19(24)22-9-7-15(8-10-22)13-21(2)3/h4-6,12,14-15H,7-11,13H2,1-3H3
InChIKeyWUQJBMDRGMUXKZ-UHFFFAOYSA-N
XLogP2.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tolperisone
CID 5511
Melperone
CID 15387
Eperisone
CID 3236
Tolperisone Hydrochloride
CID 92965
Melperone hydrochloride
CID 9926325
Eperisone Hydrochloride
CID 123698
Lenperone
CID 32593
N-((1-(4-(4-Fluorophenyl)-4-oxobutyl)-4-phenyl-4-piperidinyl)methyl)acetamide
CID 13122
DuP 734
CID 121967
Roxoperone
CID 71117
4-(4-Fluorobenzoyl)piperidine
CID 2724440
1-Phenyl-5-(piperidin-1-yl)pentan-1-one
CID 262634

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutane-1,4-dione?
The IUPAC name of 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutane-1,4-dione (CID 71873270) is 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutane-1,4-dione.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutane-1,4-dione?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutane-1,4-dione is CC(CC(=O)c1cccc(F)c1)C(=O)N1CCC(CN(C)C)CC1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutane-1,4-dione?
The InChIKey is WUQJBMDRGMUXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-14(11-18(23)16-5-4-6-17(20)12-16)19(24)22-9-7-15(8-10-22)13-21(2)3/h4-6,12,14-15H,7-11,13H2,1-3H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutane-1,4-dione?
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutane-1,4-dione has a molecular weight of 334.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(3-fluorophenyl)-2-methylbutane-1,4-dione is sourced from PubChem (CID 71873270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).