1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol

C25H40N2O2 — CID 56675822

IUPAC1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol
SMILESOC1CCN(C2CCC(c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1
InChIInChI=1S/C25H40N2O2/c28-24-13-18-27(19-14-24)23-9-5-21(6-10-23)22-7-11-25(12-8-22)29-20-4-17-26-15-2-1-3-16-26/h7-8,11-12,21,23-24,28H,1-6,9-10,13-20H2
InChIKeyUMGZDRCZPRURFJ-UHFFFAOYSA-N
MW400.61 g/mol
LogP4.42
Rot. Bonds7

About 1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol

1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol (PubChem CID 56675822) has the molecular formula C25H40N2O2 and a molecular weight of 400.61 g/mol. Its IUPAC name is 1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol
PubChem CID56675822
Molecular FormulaC25H40N2O2
Molecular Weight400.61 g/mol
Exact Mass400.31
IUPAC Name1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol
SMILESOC1CCN(C2CCC(c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1
InChIInChI=1S/C25H40N2O2/c28-24-13-18-27(19-14-24)23-9-5-21(6-10-23)22-7-11-25(12-8-22)29-20-4-17-26-15-2-1-3-16-26/h7-8,11-12,21,23-24,28H,1-6,9-10,13-20H2
InChIKeyUMGZDRCZPRURFJ-UHFFFAOYSA-N
XLogP4.42
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.61
LogP ≤ 54.42
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

1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine
CID 56662041
1-[2-[4-(4-hydroxy-4-methylcyclohexyl)phenoxy]ethyl]piperidin-4-ol
CID 163522241
(4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone
CID 68576312
1-[3-(3-cyclopropylphenoxy)propyl]pyrrolidine
CID 91040173
4-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclohexan-1-amine
CID 143322433
4-[3-(4-cyclopentyl-1,4-diazepan-1-yl)propoxy]benzamide
CID 134700418
4-(4-butoxyphenyl)-1-propylpiperidine
CID 57387305
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidine-4-carbaldehyde
CID 87150007
(3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11595089
4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol
CID 23091669
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol?
The IUPAC name of 1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol (CID 56675822) is 1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol?
The canonical SMILES for 1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol is OC1CCN(C2CCC(c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol?
The InChIKey is UMGZDRCZPRURFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O2/c28-24-13-18-27(19-14-24)23-9-5-21(6-10-23)22-7-11-25(12-8-22)29-20-4-17-26-15-2-1-3-16-26/h7-8,11-12,21,23-24,28H,1-6,9-10,13-20H2.
What are the key properties of 1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol?
1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol has a molecular weight of 400.61 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol is sourced from PubChem (CID 56675822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).