4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol

C22H36N2O2 — CID 23091669

IUPAC4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol
SMILESCN(C)CC1(c2ccc(OCCCN3CCCC3)cc2)CCC(O)CC1
InChIInChI=1S/C22H36N2O2/c1-23(2)18-22(12-10-20(25)11-13-22)19-6-8-21(9-7-19)26-17-5-16-24-14-3-4-15-24/h6-9,20,25H,3-5,10-18H2,1-2H3
InChIKeyVEEODXBIDFVFFG-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.29
Rot. Bonds8

About 4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol

4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol (PubChem CID 23091669) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol
PubChem CID23091669
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol
SMILESCN(C)CC1(c2ccc(OCCCN3CCCC3)cc2)CCC(O)CC1
InChIInChI=1S/C22H36N2O2/c1-23(2)18-22(12-10-20(25)11-13-22)19-6-8-21(9-7-19)26-17-5-16-24-14-3-4-15-24/h6-9,20,25H,3-5,10-18H2,1-2H3
InChIKeyVEEODXBIDFVFFG-UHFFFAOYSA-N
XLogP3.29
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol?
The IUPAC name of 4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol (CID 23091669) is 4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol is CN(C)CC1(c2ccc(OCCCN3CCCC3)cc2)CCC(O)CC1.
What is the InChIKey of 4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol?
The InChIKey is VEEODXBIDFVFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-23(2)18-22(12-10-20(25)11-13-22)19-6-8-21(9-7-19)26-17-5-16-24-14-3-4-15-24/h6-9,20,25H,3-5,10-18H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol?
4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol has a molecular weight of 360.54 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 23091669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).