1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine

C23H30FN3 — CID 1361233

IUPAC1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
SMILESFc1cccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C23H30FN3/c24-22-8-4-7-21(17-22)19-26-13-15-27(16-14-26)23-9-11-25(12-10-23)18-20-5-2-1-3-6-20/h1-8,17,23H,9-16,18-19H2
InChIKeyGBMBNLSJJQQZHQ-UHFFFAOYSA-N
MW367.51 g/mol
LogP3.61
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine

1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine (PubChem CID 1361233) has the molecular formula C23H30FN3 and a molecular weight of 367.51 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
PubChem CID1361233
Molecular FormulaC23H30FN3
Molecular Weight367.51 g/mol
Exact Mass367.24
IUPAC Name1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
SMILESFc1cccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C23H30FN3/c24-22-8-4-7-21(17-22)19-26-13-15-27(16-14-26)23-9-11-25(12-10-23)18-20-5-2-1-3-6-20/h1-8,17,23H,9-16,18-19H2
InChIKeyGBMBNLSJJQQZHQ-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-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
1-(1-benzylpiperidin-4-yl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid
CID 17366774
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
CID 126477231
1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
CID 68897580
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine (CID 1361233) is 1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine is Fc1cccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine?
The InChIKey is GBMBNLSJJQQZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3/c24-22-8-4-7-21(17-22)19-26-13-15-27(16-14-26)23-9-11-25(12-10-23)18-20-5-2-1-3-6-20/h1-8,17,23H,9-16,18-19H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine?
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]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-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 1361233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).