1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine

C19H28FN3 — CID 45211866

IUPAC1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN(C3CCCN(C4CCC4)C3)CC2)cc1
InChIInChI=1S/C19H28FN3/c20-16-6-8-18(9-7-16)21-11-13-22(14-12-21)19-5-2-10-23(15-19)17-3-1-4-17/h6-9,17,19H,1-5,10-15H2
InChIKeyKATMUWLOAYXOBV-UHFFFAOYSA-N
MW317.45 g/mol
LogP2.96
Rot. Bonds3

About 1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine

1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine (PubChem CID 45211866) has the molecular formula C19H28FN3 and a molecular weight of 317.45 g/mol. Its IUPAC name is 1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine
PubChem CID45211866
Molecular FormulaC19H28FN3
Molecular Weight317.45 g/mol
Exact Mass317.23
IUPAC Name1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN(C3CCCN(C4CCC4)C3)CC2)cc1
InChIInChI=1S/C19H28FN3/c20-16-6-8-18(9-7-16)21-11-13-22(14-12-21)19-5-2-10-23(15-19)17-3-1-4-17/h6-9,17,19H,1-5,10-15H2
InChIKeyKATMUWLOAYXOBV-UHFFFAOYSA-N
XLogP2.96
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 92986014
2-(4-piperidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922742
3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 25288759
[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 95722350
[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2,4,5-trifluorophenyl)methanone
CID 42241698
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 24719086
1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine
CID 45167770
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide
CID 7304650
1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 28957439
2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930919
1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 56718695
1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4-diazepane
CID 125041821

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine (CID 45211866) is 1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine is Fc1ccc(N2CCN(C3CCCN(C4CCC4)C3)CC2)cc1.
What is the InChIKey of 1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine?
The InChIKey is KATMUWLOAYXOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3/c20-16-6-8-18(9-7-16)21-11-13-22(14-12-21)19-5-2-10-23(15-19)17-3-1-4-17/h6-9,17,19H,1-5,10-15H2.
What are the key properties of 1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine?
1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine has a molecular weight of 317.45 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 45211866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).