1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

C19H28FN5O — CID 70718750

IUPAC1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(CN2CCCC(c3nnc(CN(C)C)n3C)C2)c(F)c1
InChIInChI=1S/C19H28FN5O/c1-23(2)13-18-21-22-19(24(18)3)15-6-5-9-25(12-15)11-14-7-8-16(26-4)10-17(14)20/h7-8,10,15H,5-6,9,11-13H2,1-4H3
InChIKeyCGLJEOAXDOSCHN-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.40
Rot. Bonds6

About 1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 70718750) has the molecular formula C19H28FN5O and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
PubChem CID70718750
Molecular FormulaC19H28FN5O
Molecular Weight361.47 g/mol
Exact Mass361.23
IUPAC Name1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(CN2CCCC(c3nnc(CN(C)C)n3C)C2)c(F)c1
InChIInChI=1S/C19H28FN5O/c1-23(2)13-18-21-22-19(24(18)3)15-6-5-9-25(12-15)11-14-7-8-16(26-4)10-17(14)20/h7-8,10,15H,5-6,9,11-13H2,1-4H3
InChIKeyCGLJEOAXDOSCHN-UHFFFAOYSA-N
XLogP2.40
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 72905278
1-[5-[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 95868729
1-[5-[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 95869172
1-[5-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 95893994
2-[4-[[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol
CID 95861712
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 45240609
N,N-dimethyl-1-[4-methyl-5-[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
CID 95882691
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 29257242
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479392
N,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
CID 95867068
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
1-[(5-fluoro-2-methoxyphenyl)methyl]-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 72867858

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (CID 70718750) is 1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is COc1ccc(CN2CCCC(c3nnc(CN(C)C)n3C)C2)c(F)c1.
What is the InChIKey of 1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is CGLJEOAXDOSCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN5O/c1-23(2)13-18-21-22-19(24(18)3)15-6-5-9-25(12-15)11-14-7-8-16(26-4)10-17(14)20/h7-8,10,15H,5-6,9,11-13H2,1-4H3.
What are the key properties of 1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 361.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 70718750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).