N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride

C19H26ClFN4 — CID 120846546

IUPACN-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride
SMILESCCN(C)c1ccc(CN2CCNCC2c2cccc(F)c2)cn1.Cl
InChIInChI=1S/C19H25FN4.ClH/c1-3-23(2)19-8-7-15(12-22-19)14-24-10-9-21-13-18(24)16-5-4-6-17(20)11-16;/h4-8,11-12,18,21H,3,9-10,13-14H2,1-2H3;1H
InChIKeyKYWDYIQPGTXSIT-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.25
Rot. Bonds5

About N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride

N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride (PubChem CID 120846546) has the molecular formula C19H26ClFN4 and a molecular weight of 364.90 g/mol. Its IUPAC name is N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride
PubChem CID120846546
Molecular FormulaC19H26ClFN4
Molecular Weight364.90 g/mol
Exact Mass364.18
IUPAC NameN-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride
SMILESCCN(C)c1ccc(CN2CCNCC2c2cccc(F)c2)cn1.Cl
InChIInChI=1S/C19H25FN4.ClH/c1-3-23(2)19-8-7-15(12-22-19)14-24-10-9-21-13-18(24)16-5-4-6-17(20)11-16;/h4-8,11-12,18,21H,3,9-10,13-14H2,1-2H3;1H
InChIKeyKYWDYIQPGTXSIT-UHFFFAOYSA-N
XLogP3.25
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120846541
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120768443
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 120768428
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120846605
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
ethyl 2-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]phenoxy]acetate;hydrochloride
CID 120768431
2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine
CID 120756617
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768691
2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 120756562

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride?
The IUPAC name of N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride (CID 120846546) is N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride.
What is the SMILES notation for N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride?
The canonical SMILES for N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride is CCN(C)c1ccc(CN2CCNCC2c2cccc(F)c2)cn1.Cl.
What is the InChIKey of N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride?
The InChIKey is KYWDYIQPGTXSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4.ClH/c1-3-23(2)19-8-7-15(12-22-19)14-24-10-9-21-13-18(24)16-5-4-6-17(20)11-16;/h4-8,11-12,18,21H,3,9-10,13-14H2,1-2H3;1H.
What are the key properties of N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride?
N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride has a molecular weight of 364.90 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120846546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).