(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride

C19H22ClFN2O — CID 120637115

IUPAC(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CCCCC1c1ccc(F)cc1.Cl
InChIInChI=1S/C19H21FN2O.ClH/c1-13-5-10-16(21)12-17(13)19(23)22-11-3-2-4-18(22)14-6-8-15(20)9-7-14;/h5-10,12,18H,2-4,11,21H2,1H3;1H
InChIKeyCWGXZTDZLSISLW-UHFFFAOYSA-N
MW348.85 g/mol
LogP4.51
Rot. Bonds2

About (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride

(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 120637115) has the molecular formula C19H22ClFN2O and a molecular weight of 348.85 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID120637115
Molecular FormulaC19H22ClFN2O
Molecular Weight348.85 g/mol
Exact Mass348.14
IUPAC Name(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CCCCC1c1ccc(F)cc1.Cl
InChIInChI=1S/C19H21FN2O.ClH/c1-13-5-10-16(21)12-17(13)19(23)22-11-3-2-4-18(22)14-6-8-15(20)9-7-14;/h5-10,12,18H,2-4,11,21H2,1H3;1H
InChIKeyCWGXZTDZLSISLW-UHFFFAOYSA-N
XLogP4.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120622196
[2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 70744880
1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 120622455
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
[2-(4-fluorophenyl)piperidin-1-yl]-(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)methanone
CID 131911013
(5-amino-2-methylphenyl)-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methanone;hydrochloride
CID 120636748
(5-amino-2-methylphenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 120630504
4-(5-amino-2-methylbenzoyl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one;hydrochloride
CID 120628552
[2-(4-fluorophenyl)piperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 70772344
6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70772515
[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 70742188

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride (CID 120637115) is (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride is Cc1ccc(N)cc1C(=O)N1CCCCC1c1ccc(F)cc1.Cl.
What is the InChIKey of (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is CWGXZTDZLSISLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O.ClH/c1-13-5-10-16(21)12-17(13)19(23)22-11-3-2-4-18(22)14-6-8-15(20)9-7-14;/h5-10,12,18H,2-4,11,21H2,1H3;1H.
What are the key properties of (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride?
(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 348.85 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120637115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).