[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride

C24H30ClFN2O — CID 119623469

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride
SMILESCc1ccc(-c2ccc(C(=O)N3CCC(NCC4CC4)CC3)c(F)c2)cc1C.Cl
InChIInChI=1S/C24H29FN2O.ClH/c1-16-3-6-19(13-17(16)2)20-7-8-22(23(25)14-20)24(28)27-11-9-21(10-12-27)26-15-18-4-5-18;/h3,6-8,13-14,18,21,26H,4-5,9-12,15H2,1-2H3;1H
InChIKeyFTZBSFTVSDMYGO-UHFFFAOYSA-N
MW416.97 g/mol
LogP5.14
Rot. Bonds5

About [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride

[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride (PubChem CID 119623469) has the molecular formula C24H30ClFN2O and a molecular weight of 416.97 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride
PubChem CID119623469
Molecular FormulaC24H30ClFN2O
Molecular Weight416.97 g/mol
Exact Mass416.20
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride
SMILESCc1ccc(-c2ccc(C(=O)N3CCC(NCC4CC4)CC3)c(F)c2)cc1C.Cl
InChIInChI=1S/C24H29FN2O.ClH/c1-16-3-6-19(13-17(16)2)20-7-8-22(23(25)14-20)24(28)27-11-9-21(10-12-27)26-15-18-4-5-18;/h3,6-8,13-14,18,21,26H,4-5,9-12,15H2,1-2H3;1H
InChIKeyFTZBSFTVSDMYGO-UHFFFAOYSA-N
XLogP5.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.97
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride with MolForge

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Related Compounds

[4-(3,4-dimethylphenyl)-2-fluorophenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544749
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 119622033
(5-chloro-2-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624175
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone
CID 119663065
(2-bromo-4-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81486307
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119624589
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119623457
(2-bromo-5-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119625303
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-iodo-4-methylphenyl)methanone;hydrochloride
CID 119625200
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115307142
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 119625004
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride (CID 119623469) is [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride is Cc1ccc(-c2ccc(C(=O)N3CCC(NCC4CC4)CC3)c(F)c2)cc1C.Cl.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride?
The InChIKey is FTZBSFTVSDMYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O.ClH/c1-16-3-6-19(13-17(16)2)20-7-8-22(23(25)14-20)24(28)27-11-9-21(10-12-27)26-15-18-4-5-18;/h3,6-8,13-14,18,21,26H,4-5,9-12,15H2,1-2H3;1H.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride?
[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride has a molecular weight of 416.97 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone;hydrochloride is sourced from PubChem (CID 119623469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).