2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine

C20H30FN5O — CID 71066594

IUPAC2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine
SMILESCNCCc1cn([C@H](CF)[C@H](OC)c2ccc(C3CCNCC3)cc2)nn1
InChIInChI=1S/C20H30FN5O/c1-22-10-9-18-14-26(25-24-18)19(13-21)20(27-2)17-5-3-15(4-6-17)16-7-11-23-12-8-16/h3-6,14,16,19-20,22-23H,7-13H2,1-2H3/t19-,20-/m1/s1
InChIKeyJDEUGZVOLSSHOG-WOJBJXKFSA-N
MW375.49 g/mol
LogP2.41
Rot. Bonds9

About 2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine

2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine (PubChem CID 71066594) has the molecular formula C20H30FN5O and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine
PubChem CID71066594
Molecular FormulaC20H30FN5O
Molecular Weight375.49 g/mol
Exact Mass375.24
IUPAC Name2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine
SMILESCNCCc1cn([C@H](CF)[C@H](OC)c2ccc(C3CCNCC3)cc2)nn1
InChIInChI=1S/C20H30FN5O/c1-22-10-9-18-14-26(25-24-18)19(13-21)20(27-2)17-5-3-15(4-6-17)16-7-11-23-12-8-16/h3-6,14,16,19-20,22-23H,7-13H2,1-2H3/t19-,20-/m1/s1
InChIKeyJDEUGZVOLSSHOG-WOJBJXKFSA-N
XLogP2.41
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine 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

(2S)-2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine
CID 71656721
(2R)-2-[4-[1-(4-fluorophenyl)triazol-4-yl]phenyl]morpholine
CID 71656800
4-Phenyl-1-[2-(4-phenylphenyl)-2-(trifluoromethoxy)ethyl]triazole
CID 176438157
(+/-)-trans-3-(Naphthalen-2-ylmethoxy)-4-(1-phenethyl-1h-1,2,3-triazol-5-yl)piperidine
CID 67987384
(+/-)-trans-3-(Naphthalene-2-ylmethoxy)-4-(1-phenethyl-1h-1,2,3-triazol-4-yl)piperidine
CID 67987390
(+/-)-trans-3-Benzyloxy-4-(1-phenethyl-1h-1,2,3-triazol-4-yl)piperidine
CID 67987394
(2R)-2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholine
CID 97197544
(4R,5R)-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenyl-1,3-dioxan-5-amine
CID 132395269
1-[[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]methyl]-4-methyltriazole
CID 59154941
2-[4-[1-(4-Fluorophenyl)triazol-4-yl]phenyl]morpholine
CID 78140574
(1R*,2R*,5S*,6R*)-2-{[3,5-bis(trifluoromethyl)phenyl]methoxy}-6-(3-methyl-1,2,3-triazol-5-yl)-1-phenyl-8-azabicyclo[3.2.1]octane
CID 86586719
2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-6-(1-methyltriazol-4-yl)-1-phenyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 87949733

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine (CID 71066594) is 2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine is CNCCc1cn([C@H](CF)[C@H](OC)c2ccc(C3CCNCC3)cc2)nn1.
What is the InChIKey of 2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine?
The InChIKey is JDEUGZVOLSSHOG-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H30FN5O/c1-22-10-9-18-14-26(25-24-18)19(13-21)20(27-2)17-5-3-15(4-6-17)16-7-11-23-12-8-16/h3-6,14,16,19-20,22-23H,7-13H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of 2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine?
2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine has a molecular weight of 375.49 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 71066594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).