1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine

C23H30FN3 — CID 1334692

IUPAC1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
SMILESFc1ccc(CN2CCC(N3CCN(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C23H30FN3/c24-22-8-6-21(7-9-22)19-25-12-10-23(11-13-25)27-16-14-26(15-17-27)18-20-4-2-1-3-5-20/h1-9,23H,10-19H2
InChIKeyYRGIUXAIASUVRH-UHFFFAOYSA-N
MW367.51 g/mol
LogP3.61
Rot. Bonds5

About 1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine

1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine (PubChem CID 1334692) has the molecular formula C23H30FN3 and a molecular weight of 367.51 g/mol. Its IUPAC name is 1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
PubChem CID1334692
Molecular FormulaC23H30FN3
Molecular Weight367.51 g/mol
Exact Mass367.24
IUPAC Name1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
SMILESFc1ccc(CN2CCC(N3CCN(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C23H30FN3/c24-22-8-6-21(7-9-22)19-25-12-10-23(11-13-25)27-16-14-26(15-17-27)18-20-4-2-1-3-5-20/h1-9,23H,10-19H2
InChIKeyYRGIUXAIASUVRH-UHFFFAOYSA-N
XLogP3.61
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine
CID 4677213
1-benzyl-4-cyclopropylpiperazine
CID 69195043
4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol
CID 22122113
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-cycloheptyl-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 90483560
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
1-(1-benzylpiperidin-4-yl)-4-[(4-bromophenyl)methyl]piperazine;oxalic acid
CID 17366692
1-(1-benzylpiperidin-4-yl)-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 90483967
1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
CID 68897580
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
1-[(4-fluorophenyl)methyl]-4-(4-methylcyclohexyl)piperazine;oxalic acid
CID 90483762

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine?
The IUPAC name of 1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine (CID 1334692) is 1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine.
What is the SMILES notation for 1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine?
The canonical SMILES for 1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine is Fc1ccc(CN2CCC(N3CCN(Cc4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine?
The InChIKey is YRGIUXAIASUVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3/c24-22-8-6-21(7-9-22)19-25-12-10-23(11-13-25)27-16-14-26(15-17-27)18-20-4-2-1-3-5-20/h1-9,23H,10-19H2.
What are the key properties of 1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine?
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine has a molecular weight of 367.51 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine is sourced from PubChem (CID 1334692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).