2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride

C15H22Cl3FN2 — CID 120843537

IUPAC2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
SMILESCNCCC1CCN(Cc2ccc(F)c(Cl)c2Cl)CC1.Cl
InChIInChI=1S/C15H21Cl2FN2.ClH/c1-19-7-4-11-5-8-20(9-6-11)10-12-2-3-13(18)15(17)14(12)16;/h2-3,11,19H,4-10H2,1H3;1H
InChIKeyGHGDLEXEMAJSEO-UHFFFAOYSA-N
MW355.71 g/mol
LogP4.38
Rot. Bonds5

About 2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride

2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride (PubChem CID 120843537) has the molecular formula C15H22Cl3FN2 and a molecular weight of 355.71 g/mol. Its IUPAC name is 2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
PubChem CID120843537
Molecular FormulaC15H22Cl3FN2
Molecular Weight355.71 g/mol
Exact Mass354.08
IUPAC Name2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
SMILESCNCCC1CCN(Cc2ccc(F)c(Cl)c2Cl)CC1.Cl
InChIInChI=1S/C15H21Cl2FN2.ClH/c1-19-7-4-11-5-8-20(9-6-11)10-12-2-3-13(18)15(17)14(12)16;/h2-3,11,19H,4-10H2,1H3;1H
InChIKeyGHGDLEXEMAJSEO-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.71
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 104869888
1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-amine
CID 120834490
1-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120835764
2-[1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 106264865
2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843473
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 104792852
2-[1-[(2-fluoro-3-nitrophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 107350281
1-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922302
2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843504
N-[[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 115983027
(3R)-1-[(2,3-dichloro-4-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 120845594
2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine
CID 80606353

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
The IUPAC name of 2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride (CID 120843537) is 2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride is CNCCC1CCN(Cc2ccc(F)c(Cl)c2Cl)CC1.Cl.
What is the InChIKey of 2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
The InChIKey is GHGDLEXEMAJSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2FN2.ClH/c1-19-7-4-11-5-8-20(9-6-11)10-12-2-3-13(18)15(17)14(12)16;/h2-3,11,19H,4-10H2,1H3;1H.
What are the key properties of 2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride has a molecular weight of 355.71 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride is sourced from PubChem (CID 120843537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).