1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium

C26H33N3+2 — CID 7325686

IUPAC1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
SMILESc1ccc(N2CC[NH+](C3CC[NH+](Cc4cccc5ccccc45)CC3)CC2)cc1
InChIInChI=1S/C26H31N3/c1-2-10-24(11-3-1)28-17-19-29(20-18-28)25-13-15-27(16-14-25)21-23-9-6-8-22-7-4-5-12-26(22)23/h1-12,25H,13-21H2/p+2
InChIKeyLRLAZFFWUMMACV-UHFFFAOYSA-P
MW387.57 g/mol
LogP1.79
Rot. Bonds4

About 1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium

1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium (PubChem CID 7325686) has the molecular formula C26H33N3+2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium.

Molecular Properties

Compound Name1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
PubChem CID7325686
Molecular FormulaC26H33N3+2
Molecular Weight387.57 g/mol
Exact Mass387.27
IUPAC Name1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
SMILESc1ccc(N2CC[NH+](C3CC[NH+](Cc4cccc5ccccc45)CC3)CC2)cc1
InChIInChI=1S/C26H31N3/c1-2-10-24(11-3-1)28-17-19-29(20-18-28)25-13-15-27(16-14-25)21-23-9-6-8-22-7-4-5-12-26(22)23/h1-12,25H,13-21H2/p+2
InChIKeyLRLAZFFWUMMACV-UHFFFAOYSA-P
XLogP1.79
TPSA12.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium
CID 7101668
1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
CID 7101671
2-[4-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol
CID 7325688
1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
CID 7403675
1-(4-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium
CID 7334376
1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-fluorophenyl)piperazin-1-ium
CID 6962721
4-(naphthalen-1-ylmethyl)morpholin-4-ium
CID 6942888
1-[(1R,3R)-3-methylcyclohexyl]-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium
CID 7344676
(3S)-1-(naphthalen-1-ylmethyl)piperidin-1-ium-3-ol
CID 6939510
1-[1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
CID 11877898
4-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]morpholin-4-ium
CID 5175463
1-(1-benzylpiperidin-1-ium-4-yl)-4-[(4-methylphenyl)methyl]piperazine-1,4-diium
CID 6982157

Frequently Asked Questions

What is the IUPAC name of 1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium?
The IUPAC name of 1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium (CID 7325686) is 1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium.
What is the SMILES notation for 1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium?
The canonical SMILES for 1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium is c1ccc(N2CC[NH+](C3CC[NH+](Cc4cccc5ccccc45)CC3)CC2)cc1.
What is the InChIKey of 1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium?
The InChIKey is LRLAZFFWUMMACV-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H31N3/c1-2-10-24(11-3-1)28-17-19-29(20-18-28)25-13-15-27(16-14-25)21-23-9-6-8-22-7-4-5-12-26(22)23/h1-12,25H,13-21H2/p+2.
What are the key properties of 1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium?
1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium has a molecular weight of 387.57 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium is sourced from PubChem (CID 7325686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).