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

C26H36N2O3 — CID 66783418

IUPAC4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol
SMILESCOc1cccc(C2(O)CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)c1
InChIInChI=1S/C26H36N2O3/c1-30-25-8-5-7-22(21-25)26(29)13-18-28(19-14-26)23-9-11-24(12-10-23)31-20-6-17-27-15-3-2-4-16-27/h5,7-12,21,29H,2-4,6,13-20H2,1H3
InChIKeySIDCSPOXCBHKRF-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.44
Rot. Bonds8

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

4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol (PubChem CID 66783418) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol
PubChem CID66783418
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC Name4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol
SMILESCOc1cccc(C2(O)CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)c1
InChIInChI=1S/C26H36N2O3/c1-30-25-8-5-7-22(21-25)26(29)13-18-28(19-14-26)23-9-11-24(12-10-23)31-20-6-17-27-15-3-2-4-16-27/h5,7-12,21,29H,2-4,6,13-20H2,1H3
InChIKeySIDCSPOXCBHKRF-UHFFFAOYSA-N
XLogP4.44
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 66783820
6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;2,2,2-trifluoroacetic acid
CID 66783819
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane
CID 159080609
2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 1446395
8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66783967
1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one
CID 67760392
[4-hydroxy-4-(4-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-2-yl] 2,2,2-trifluoroacetate
CID 140537005
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316
4-ethyl-9-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66784198

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol?
The IUPAC name of 4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol (CID 66783418) is 4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol.
What is the SMILES notation for 4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol?
The canonical SMILES for 4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol is COc1cccc(C2(O)CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol?
The InChIKey is SIDCSPOXCBHKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-30-25-8-5-7-22(21-25)26(29)13-18-28(19-14-26)23-9-11-24(12-10-23)31-20-6-17-27-15-3-2-4-16-27/h5,7-12,21,29H,2-4,6,13-20H2,1H3.
What are the key properties of 4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol?
4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol has a molecular weight of 424.59 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol is sourced from PubChem (CID 66783418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).