(4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone

C22H27FN2O — CID 23541367

IUPAC(4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone
SMILESCNC(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H27FN2O/c1-24-21(17-5-3-2-4-6-17)13-16-25-14-11-19(12-15-25)22(26)18-7-9-20(23)10-8-18/h2-10,19,21,24H,11-16H2,1H3
InChIKeySGKLRHMXTGUVTM-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.07
Rot. Bonds7

About (4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone (PubChem CID 23541367) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone
PubChem CID23541367
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name(4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone
SMILESCNC(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H27FN2O/c1-24-21(17-5-3-2-4-6-17)13-16-25-14-11-19(12-15-25)22(26)18-7-9-20(23)10-8-18/h2-10,19,21,24H,11-16H2,1H3
InChIKeySGKLRHMXTGUVTM-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone
CID 19690037
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265
N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride
CID 53487306
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62643870
1-(4-fluorophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645375
[1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
CID 112628961
2-(4-fluorophenyl)-N-[1-[(3S)-3-(3-fluorophenyl)-3-(methylamino)propyl]piperidin-4-yl]acetamide
CID 58631035
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674209
3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62645471
(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone
CID 11016205
(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
CID 57279931

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone (CID 23541367) is (4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone is CNC(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of (4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone?
The InChIKey is SGKLRHMXTGUVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-24-21(17-5-3-2-4-6-17)13-16-25-14-11-19(12-15-25)22(26)18-7-9-20(23)10-8-18/h2-10,19,21,24H,11-16H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone has a molecular weight of 354.47 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone is sourced from PubChem (CID 23541367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).