4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol

C18H27NO — CID 114601118

IUPAC4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(c2ccccc2C2CCC2)CC1
InChIInChI=1S/C18H27NO/c1-2-12-19-13-10-18(20,11-14-19)17-9-4-3-8-16(17)15-6-5-7-15/h3-4,8-9,15,20H,2,5-7,10-14H2,1H3
InChIKeyUIGTZHOSZHRDNX-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.65
Rot. Bonds4

About 4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol

4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol (PubChem CID 114601118) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol
PubChem CID114601118
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(c2ccccc2C2CCC2)CC1
InChIInChI=1S/C18H27NO/c1-2-12-19-13-10-18(20,11-14-19)17-9-4-3-8-16(17)15-6-5-7-15/h3-4,8-9,15,20H,2,5-7,10-14H2,1H3
InChIKeyUIGTZHOSZHRDNX-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol?
The IUPAC name of 4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol (CID 114601118) is 4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol.
What is the SMILES notation for 4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol?
The canonical SMILES for 4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol is CCCN1CCC(O)(c2ccccc2C2CCC2)CC1.
What is the InChIKey of 4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol?
The InChIKey is UIGTZHOSZHRDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-12-19-13-10-18(20,11-14-19)17-9-4-3-8-16(17)15-6-5-7-15/h3-4,8-9,15,20H,2,5-7,10-14H2,1H3.
What are the key properties of 4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol?
4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol has a molecular weight of 273.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylphenyl)-1-propylpiperidin-4-ol is sourced from PubChem (CID 114601118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).