1-(2-methoxyphenyl)-4-(4-phenylcyclohexyl)piperazin-4-ium

C23H31N2O+ — CID 6957641

IUPAC1-(2-methoxyphenyl)-4-(4-phenylcyclohexyl)piperazin-4-ium
SMILESCOc1ccccc1N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C23H30N2O/c1-26-23-10-6-5-9-22(23)25-17-15-24(16-18-25)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-10,20-21H,11-18H2,1H3/p+1
InChIKeyLHDBCFYGEHRWTM-UHFFFAOYSA-O
MW351.51 g/mol
LogP3.13
Rot. Bonds4

About 1-(2-methoxyphenyl)-4-(4-phenylcyclohexyl)piperazin-4-ium

1-(2-methoxyphenyl)-4-(4-phenylcyclohexyl)piperazin-4-ium (PubChem CID 6957641) has the molecular formula C23H31N2O+ and a molecular weight of 351.51 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(4-phenylcyclohexyl)piperazin-4-ium.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(4-phenylcyclohexyl)piperazin-4-ium
PubChem CID6957641
Molecular FormulaC23H31N2O+
Molecular Weight351.51 g/mol
Exact Mass351.24
IUPAC Name1-(2-methoxyphenyl)-4-(4-phenylcyclohexyl)piperazin-4-ium
SMILESCOc1ccccc1N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C23H30N2O/c1-26-23-10-6-5-9-22(23)25-17-15-24(16-18-25)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-10,20-21H,11-18H2,1H3/p+1
InChIKeyLHDBCFYGEHRWTM-UHFFFAOYSA-O
XLogP3.13
TPSA16.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-(2-methoxyphenyl)-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium
CID 7329152
1-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 7325626
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
CID 7101671
1-(2-methoxyphenyl)-4-phenylpiperidine-2,6-dione
CID 42628281
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-azabicyclo[3.2.2]nonane
CID 57317137
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10829708
(3aS,5R,7aR)-2-(2-methoxyphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11894363
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-[(3R)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone
CID 2041282

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(4-phenylcyclohexyl)piperazin-4-ium?
The IUPAC name of 1-(2-methoxyphenyl)-4-(4-phenylcyclohexyl)piperazin-4-ium (CID 6957641) is 1-(2-methoxyphenyl)-4-(4-phenylcyclohexyl)piperazin-4-ium.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(4-phenylcyclohexyl)piperazin-4-ium?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(4-phenylcyclohexyl)piperazin-4-ium is COc1ccccc1N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(4-phenylcyclohexyl)piperazin-4-ium?
The InChIKey is LHDBCFYGEHRWTM-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H30N2O/c1-26-23-10-6-5-9-22(23)25-17-15-24(16-18-25)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-10,20-21H,11-18H2,1H3/p+1.
What are the key properties of 1-(2-methoxyphenyl)-4-(4-phenylcyclohexyl)piperazin-4-ium?
1-(2-methoxyphenyl)-4-(4-phenylcyclohexyl)piperazin-4-ium has a molecular weight of 351.51 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(4-phenylcyclohexyl)piperazin-4-ium is sourced from PubChem (CID 6957641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).