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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Related Compounds

N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine
CID 68577910
N,N-dimethyl-1-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine;N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-amine
CID 158206148
N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclohexanamine
CID 68576619
N,N,N'-trimethyl-N'-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]ethane-1,2-diamine
CID 68576692
N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]ethanamine
CID 11653402
(4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone
CID 68576312
1-[4-[4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine
CID 68578158
ethyl 4-[3-[4-[4-[(dimethylamino)methyl]oxan-4-yl]phenoxy]propyl]piperazine-1-carboxylate
CID 59837463
1-[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxan-4-yl]-N,N-dimethylmethanamine
CID 59837509
(Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine
CID 173480711
N,N-dimethyl-1-[4-[4-(3-pyrrol-1-ylpropoxy)phenyl]oxan-4-yl]methanamine
CID 141125875
N,N-dimethyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 68575652

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).