1-[4-[2-[cyclobutylmethyl(ethyl)amino]ethyl]phenyl]-4-phenylpiperidin-4-ol

C26H36N2O — CID 90997143

IUPAC1-[4-[2-[cyclobutylmethyl(ethyl)amino]ethyl]phenyl]-4-phenylpiperidin-4-ol
SMILESCCN(CCc1ccc(N2CCC(O)(c3ccccc3)CC2)cc1)CC1CCC1
InChIInChI=1S/C26H36N2O/c1-2-27(21-23-7-6-8-23)18-15-22-11-13-25(14-12-22)28-19-16-26(29,17-20-28)24-9-4-3-5-10-24/h3-5,9-14,23,29H,2,6-8,15-21H2,1H3
InChIKeyJPOMLAFVWAFQRZ-UHFFFAOYSA-N
MW392.59 g/mol
LogP4.84
Rot. Bonds8

About 1-[4-[2-[cyclobutylmethyl(ethyl)amino]ethyl]phenyl]-4-phenylpiperidin-4-ol

1-[4-[2-[cyclobutylmethyl(ethyl)amino]ethyl]phenyl]-4-phenylpiperidin-4-ol (PubChem CID 90997143) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is 1-[4-[2-[cyclobutylmethyl(ethyl)amino]ethyl]phenyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-[2-[cyclobutylmethyl(ethyl)amino]ethyl]phenyl]-4-phenylpiperidin-4-ol
PubChem CID90997143
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC Name1-[4-[2-[cyclobutylmethyl(ethyl)amino]ethyl]phenyl]-4-phenylpiperidin-4-ol
SMILESCCN(CCc1ccc(N2CCC(O)(c3ccccc3)CC2)cc1)CC1CCC1
InChIInChI=1S/C26H36N2O/c1-2-27(21-23-7-6-8-23)18-15-22-11-13-25(14-12-22)28-19-16-26(29,17-20-28)24-9-4-3-5-10-24/h3-5,9-14,23,29H,2,6-8,15-21H2,1H3
InChIKeyJPOMLAFVWAFQRZ-UHFFFAOYSA-N
XLogP4.84
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[cyclobutylmethyl(ethyl)amino]ethyl]phenyl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[4-[2-[cyclobutylmethyl(ethyl)amino]ethyl]phenyl]-4-phenylpiperidin-4-ol (CID 90997143) is 1-[4-[2-[cyclobutylmethyl(ethyl)amino]ethyl]phenyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[4-[2-[cyclobutylmethyl(ethyl)amino]ethyl]phenyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[4-[2-[cyclobutylmethyl(ethyl)amino]ethyl]phenyl]-4-phenylpiperidin-4-ol is CCN(CCc1ccc(N2CCC(O)(c3ccccc3)CC2)cc1)CC1CCC1.
What is the InChIKey of 1-[4-[2-[cyclobutylmethyl(ethyl)amino]ethyl]phenyl]-4-phenylpiperidin-4-ol?
The InChIKey is JPOMLAFVWAFQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c1-2-27(21-23-7-6-8-23)18-15-22-11-13-25(14-12-22)28-19-16-26(29,17-20-28)24-9-4-3-5-10-24/h3-5,9-14,23,29H,2,6-8,15-21H2,1H3.
What are the key properties of 1-[4-[2-[cyclobutylmethyl(ethyl)amino]ethyl]phenyl]-4-phenylpiperidin-4-ol?
1-[4-[2-[cyclobutylmethyl(ethyl)amino]ethyl]phenyl]-4-phenylpiperidin-4-ol has a molecular weight of 392.59 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[cyclobutylmethyl(ethyl)amino]ethyl]phenyl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 90997143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).