1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one

C19H27FN2O — CID 119622987

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(NCC2CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H27FN2O/c1-19(2,15-5-7-16(20)8-6-15)18(23)22-11-9-17(10-12-22)21-13-14-3-4-14/h5-8,14,17,21H,3-4,9-13H2,1-2H3
InChIKeyIYDUPEAQACFXSU-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.09
Rot. Bonds5

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one (PubChem CID 119622987) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one
PubChem CID119622987
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(NCC2CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H27FN2O/c1-19(2,15-5-7-16(20)8-6-15)18(23)22-11-9-17(10-12-22)21-13-14-3-4-14/h5-8,14,17,21H,3-4,9-13H2,1-2H3
InChIKeyIYDUPEAQACFXSU-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492
N-(cyclopropylmethyl)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]azetidine-3-carboxamide
CID 92634041
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119625065
2-(3-fluorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119560156
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115307142
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylbutan-1-one
CID 119622399
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 120814958
2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 92633437
2-(4-fluorophenyl)-2-methyl-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110246474
N-[(4S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide
CID 92634952
(2-bromo-4-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81486307
[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone
CID 119621700

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one (CID 119622987) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one is CC(C)(C(=O)N1CCC(NCC2CC2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is IYDUPEAQACFXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O/c1-19(2,15-5-7-16(20)8-6-15)18(23)22-11-9-17(10-12-22)21-13-14-3-4-14/h5-8,14,17,21H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 318.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 119622987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).