(2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone

C24H31N2O2+ — CID 7353310

IUPAC(2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CC[NH+](C2(c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C24H30N2O2/c1-28-22-13-7-6-12-21(22)23(27)25-16-18-26(19-17-25)24(14-8-3-9-15-24)20-10-4-2-5-11-20/h2,4-7,10-13H,3,8-9,14-19H2,1H3/p+1
InChIKeyUVYCVDGXCAMVPI-UHFFFAOYSA-O
MW379.52 g/mol
LogP2.90
Rot. Bonds4

About (2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone

(2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone (PubChem CID 7353310) has the molecular formula C24H31N2O2+ and a molecular weight of 379.52 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone
PubChem CID7353310
Molecular FormulaC24H31N2O2+
Molecular Weight379.52 g/mol
Exact Mass379.24
IUPAC Name(2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CC[NH+](C2(c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C24H30N2O2/c1-28-22-13-7-6-12-21(22)23(27)25-16-18-26(19-17-25)24(14-8-3-9-15-24)20-10-4-2-5-11-20/h2,4-7,10-13H,3,8-9,14-19H2,1H3/p+1
InChIKeyUVYCVDGXCAMVPI-UHFFFAOYSA-O
XLogP2.90
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.52
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone
CID 4743493
(2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone
CID 110637980
(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
CID 107406615
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone
CID 110721382
[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110798465
1-(2,3-dimethoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433253
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanone
CID 63410127
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
(2-methoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4215728
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methoxyphenyl)methanone
CID 125000712
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone (CID 7353310) is (2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone is COc1ccccc1C(=O)N1CC[NH+](C2(c3ccccc3)CCCCC2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone?
The InChIKey is UVYCVDGXCAMVPI-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H30N2O2/c1-28-22-13-7-6-12-21(22)23(27)25-16-18-26(19-17-25)24(14-8-3-9-15-24)20-10-4-2-5-11-20/h2,4-7,10-13H,3,8-9,14-19H2,1H3/p+1.
What are the key properties of (2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone?
(2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone has a molecular weight of 379.52 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone is sourced from PubChem (CID 7353310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).