[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

C16H22ClFN2O — CID 119559905

IUPAC[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2CC2c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C16H21FN2O.ClH/c1-18-13-6-8-19(9-7-13)16(20)15-10-14(15)11-2-4-12(17)5-3-11;/h2-5,13-15,18H,6-10H2,1H3;1H
InChIKeyBALYEUCTTSPNGH-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.56
Rot. Bonds3

About [2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119559905) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is [2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119559905
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2CC2c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C16H21FN2O.ClH/c1-18-13-6-8-19(9-7-13)16(20)15-10-14(15)11-2-4-12(17)5-3-11;/h2-5,13-15,18H,6-10H2,1H3;1H
InChIKeyBALYEUCTTSPNGH-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429835
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 119516884
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125134576
[4-(methylamino)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119561835
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 125134461
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98774935
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 94525636
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 51896883
[2-(3,4-difluorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492182
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-[(1R,5S)-9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl]methanone
CID 129432946
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 94532811
(3R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 125132949

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119559905) is [2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)C2CC2c2ccc(F)cc2)CC1.Cl.
What is the InChIKey of [2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is BALYEUCTTSPNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O.ClH/c1-18-13-6-8-19(9-7-13)16(20)15-10-14(15)11-2-4-12(17)5-3-11;/h2-5,13-15,18H,6-10H2,1H3;1H.
What are the key properties of [2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 312.82 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119559905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).