2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol

C19H31NO — CID 139594270

IUPAC2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol
SMILESCC(C)(C)c1ccc(CC(CO)CN2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-19(2,3)18-9-7-16(8-10-18)13-17(15-21)14-20-11-5-4-6-12-20/h7-10,17,21H,4-6,11-15H2,1-3H3
InChIKeyAYIBEQIGTYSKHG-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.62
Rot. Bonds5

About 2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol

2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol (PubChem CID 139594270) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol
PubChem CID139594270
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol
SMILESCC(C)(C)c1ccc(CC(CO)CN2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-19(2,3)18-9-7-16(8-10-18)13-17(15-21)14-20-11-5-4-6-12-20/h7-10,17,21H,4-6,11-15H2,1-3H3
InChIKeyAYIBEQIGTYSKHG-UHFFFAOYSA-N
XLogP3.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol (CID 139594270) is 2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol is CC(C)(C)c1ccc(CC(CO)CN2CCCCC2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol?
The InChIKey is AYIBEQIGTYSKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-19(2,3)18-9-7-16(8-10-18)13-17(15-21)14-20-11-5-4-6-12-20/h7-10,17,21H,4-6,11-15H2,1-3H3.
What are the key properties of 2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol?
2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 139594270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).