1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine

C17H22FN3 — CID 86773590

IUPAC1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine
SMILESCC(c1cccc(F)c1)N1CCC(c2cnn(C)c2)CC1
InChIInChI=1S/C17H22FN3/c1-13(15-4-3-5-17(18)10-15)21-8-6-14(7-9-21)16-11-19-20(2)12-16/h3-5,10-14H,6-9H2,1-2H3
InChIKeyHPHIBCYGRSESCC-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.50
Rot. Bonds3

About 1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine

1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine (PubChem CID 86773590) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine
PubChem CID86773590
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine
SMILESCC(c1cccc(F)c1)N1CCC(c2cnn(C)c2)CC1
InChIInChI=1S/C17H22FN3/c1-13(15-4-3-5-17(18)10-15)21-8-6-14(7-9-21)16-11-19-20(2)12-16/h3-5,10-14H,6-9H2,1-2H3
InChIKeyHPHIBCYGRSESCC-UHFFFAOYSA-N
XLogP3.50
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-fluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95308653
(1S)-1-(3-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 98757362
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine
CID 81493286
N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928208
N-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742107
2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol
CID 110900456
(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677617
[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 124535818
N-[(3-fluorophenyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741787
N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 55922553
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512457

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine?
The IUPAC name of 1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine (CID 86773590) is 1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine.
What is the SMILES notation for 1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine?
The canonical SMILES for 1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine is CC(c1cccc(F)c1)N1CCC(c2cnn(C)c2)CC1.
What is the InChIKey of 1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine?
The InChIKey is HPHIBCYGRSESCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-13(15-4-3-5-17(18)10-15)21-8-6-14(7-9-21)16-11-19-20(2)12-16/h3-5,10-14H,6-9H2,1-2H3.
What are the key properties of 1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine?
1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine has a molecular weight of 287.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)piperidine is sourced from PubChem (CID 86773590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).