1-(cyclohexylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol;1-[(2,4-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol

C41H70Cl2N4O2 — CID 158889073

IUPAC1-(cyclohexylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol;1-[(2,4-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol
SMILESCN1CCN(CC2CCCCCC2(O)CC2CCCCC2)CC1.CN1CCN(CC2CCCCCCC2(O)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H32Cl2N2O.C20H38N2O/c1-24-10-12-25(13-11-24)16-18-6-4-2-3-5-9-21(18,26)15-17-7-8-19(22)14-20(17)23;1-21-12-14-22(15-13-21)17-19-10-6-3-7-11-20(19,23)16-18-8-4-2-5-9-18/h7-8,14,18,26H,2-6,9-13,15-16H2,1H3;18-19,23H,2-17H2,1H3
InChIKeyJDZNXMJMIXQODA-UHFFFAOYSA-N
MW721.94 g/mol
LogP8.00
Rot. Bonds8

About 1-(cyclohexylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol;1-[(2,4-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol

1-(cyclohexylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol;1-[(2,4-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol (PubChem CID 158889073) has the molecular formula C41H70Cl2N4O2 and a molecular weight of 721.94 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol;1-[(2,4-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol;1-[(2,4-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol
PubChem CID158889073
Molecular FormulaC41H70Cl2N4O2
Molecular Weight721.94 g/mol
Exact Mass720.49
IUPAC Name1-(cyclohexylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol;1-[(2,4-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol
SMILESCN1CCN(CC2CCCCCC2(O)CC2CCCCC2)CC1.CN1CCN(CC2CCCCCCC2(O)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H32Cl2N2O.C20H38N2O/c1-24-10-12-25(13-11-24)16-18-6-4-2-3-5-9-21(18,26)15-17-7-8-19(22)14-20(17)23;1-21-12-14-22(15-13-21)17-19-10-6-3-7-11-20(19,23)16-18-8-4-2-5-9-18/h7-8,14,18,26H,2-6,9-13,15-16H2,1H3;18-19,23H,2-17H2,1H3
InChIKeyJDZNXMJMIXQODA-UHFFFAOYSA-N
XLogP8.00
TPSA53.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.94
LogP ≤ 58.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(cyclohexylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol;1-[(2,4-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol;1-[(2,4-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol?
The IUPAC name of 1-(cyclohexylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol;1-[(2,4-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol (CID 158889073) is 1-(cyclohexylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol;1-[(2,4-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol;1-[(2,4-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol?
The canonical SMILES for 1-(cyclohexylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol;1-[(2,4-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol is CN1CCN(CC2CCCCCC2(O)CC2CCCCC2)CC1.CN1CCN(CC2CCCCCCC2(O)Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol;1-[(2,4-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol?
The InChIKey is JDZNXMJMIXQODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32Cl2N2O.C20H38N2O/c1-24-10-12-25(13-11-24)16-18-6-4-2-3-5-9-21(18,26)15-17-7-8-19(22)14-20(17)23;1-21-12-14-22(15-13-21)17-19-10-6-3-7-11-20(19,23)16-18-8-4-2-5-9-18/h7-8,14,18,26H,2-6,9-13,15-16H2,1H3;18-19,23H,2-17H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol;1-[(2,4-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol?
1-(cyclohexylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol;1-[(2,4-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol has a molecular weight of 721.94 g/mol, XLogP of 8.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]cycloheptan-1-ol;1-[(2,4-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]cyclooctan-1-ol is sourced from PubChem (CID 158889073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).