1-phenyl-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine

C25H35N5 — CID 75102554

IUPAC1-phenyl-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine
SMILESc1ccc(C2NNCC2CN2CCCC(N3CCN(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C25H35N5/c1-3-8-21(9-4-1)25-22(18-26-27-25)19-28-13-7-12-24(20-28)30-16-14-29(15-17-30)23-10-5-2-6-11-23/h1-6,8-11,22,24-27H,7,12-20H2
InChIKeyODZVOIPMPNOZCZ-UHFFFAOYSA-N
MW405.59 g/mol
LogP2.74
Rot. Bonds5

About 1-phenyl-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine

1-phenyl-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine (PubChem CID 75102554) has the molecular formula C25H35N5 and a molecular weight of 405.59 g/mol. Its IUPAC name is 1-phenyl-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine
PubChem CID75102554
Molecular FormulaC25H35N5
Molecular Weight405.59 g/mol
Exact Mass405.29
IUPAC Name1-phenyl-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine
SMILESc1ccc(C2NNCC2CN2CCCC(N3CCN(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C25H35N5/c1-3-8-21(9-4-1)25-22(18-26-27-25)19-28-13-7-12-24(20-28)30-16-14-29(15-17-30)23-10-5-2-6-11-23/h1-6,8-11,22,24-27H,7,12-20H2
InChIKeyODZVOIPMPNOZCZ-UHFFFAOYSA-N
XLogP2.74
TPSA33.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolidine-3-carboxylate
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(2R)-1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 95337645
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CID 92671940
1-cycloheptyl-4-phenylpiperazine
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1-phenyl-4-[(3R)-piperidin-3-yl]piperazine
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1-phenyl-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
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2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
CID 45201583
1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine
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2-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine?
The IUPAC name of 1-phenyl-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine (CID 75102554) is 1-phenyl-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine.
What is the SMILES notation for 1-phenyl-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine?
The canonical SMILES for 1-phenyl-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine is c1ccc(C2NNCC2CN2CCCC(N3CCN(c4ccccc4)CC3)C2)cc1.
What is the InChIKey of 1-phenyl-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine?
The InChIKey is ODZVOIPMPNOZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5/c1-3-8-21(9-4-1)25-22(18-26-27-25)19-28-13-7-12-24(20-28)30-16-14-29(15-17-30)23-10-5-2-6-11-23/h1-6,8-11,22,24-27H,7,12-20H2.
What are the key properties of 1-phenyl-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine?
1-phenyl-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine has a molecular weight of 405.59 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-3-yl]piperazine is sourced from PubChem (CID 75102554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).