1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane

C27H40N2O2 — CID 159080609

IUPAC1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane
SMILESC.OC1(c2ccc(OCCCN3CCCCC3)cc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H36N2O2.CH4/c29-26(14-19-28(20-15-26)22-23-8-3-1-4-9-23)24-10-12-25(13-11-24)30-21-7-18-27-16-5-2-6-17-27;/h1,3-4,8-13,29H,2,5-7,14-22H2;1H4
InChIKeyKAUNYHHFMTXFSX-UHFFFAOYSA-N
MW424.63 g/mol
LogP5.06
Rot. Bonds8

About 1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane

1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane (PubChem CID 159080609) has the molecular formula C27H40N2O2 and a molecular weight of 424.63 g/mol. Its IUPAC name is 1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane.

Molecular Properties

Compound Name1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane
PubChem CID159080609
Molecular FormulaC27H40N2O2
Molecular Weight424.63 g/mol
Exact Mass424.31
IUPAC Name1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane
SMILESC.OC1(c2ccc(OCCCN3CCCCC3)cc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H36N2O2.CH4/c29-26(14-19-28(20-15-26)22-23-8-3-1-4-9-23)24-10-12-25(13-11-24)30-21-7-18-27-16-5-2-6-17-27;/h1,3-4,8-13,29H,2,5-7,14-22H2;1H4
InChIKeyKAUNYHHFMTXFSX-UHFFFAOYSA-N
XLogP5.06
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 55.06
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-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
3-benzyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 10429768
1-[2-(4-hydroxyphenoxy)ethyl]-4-phenylpiperidin-4-ol
CID 23294468
1-[[4-(2-phenylethoxy)phenyl]methyl]piperidine
CID 15952241
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidin-4-ol
CID 10892851
1-[3-(4-cyclopent-2-en-1-ylphenoxy)propyl]-4-phenylpiperidin-4-ol
CID 3021337
1-benzyl-4-[4-(2-hydroxyethyl)phenyl]piperidin-4-ol
CID 14903438
4-(4-propoxyphenyl)-1-propylpiperidin-4-ol
CID 62795398
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182
4-(3-methoxyphenyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol
CID 66783418

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane?
The IUPAC name of 1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane (CID 159080609) is 1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane.
What is the SMILES notation for 1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane?
The canonical SMILES for 1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane is C.OC1(c2ccc(OCCCN3CCCCC3)cc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane?
The InChIKey is KAUNYHHFMTXFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2.CH4/c29-26(14-19-28(20-15-26)22-23-8-3-1-4-9-23)24-10-12-25(13-11-24)30-21-7-18-27-16-5-2-6-17-27;/h1,3-4,8-13,29H,2,5-7,14-22H2;1H4.
What are the key properties of 1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane?
1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane has a molecular weight of 424.63 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-ol;methane is sourced from PubChem (CID 159080609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).