2-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol

C19H31NO2 — CID 71601842

IUPAC2-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol
SMILESCC(C)(O)CCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C19H31NO2/c1-19(2,21)12-11-17-7-9-18(10-8-17)22-16-6-15-20-13-4-3-5-14-20/h7-10,21H,3-6,11-16H2,1-2H3
InChIKeyWZZANRVDJQQPGQ-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.64
Rot. Bonds8

About 2-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol

2-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol (PubChem CID 71601842) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol
PubChem CID71601842
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol
SMILESCC(C)(O)CCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C19H31NO2/c1-19(2,21)12-11-17-7-9-18(10-8-17)22-16-6-15-20-13-4-3-5-14-20/h7-10,21H,3-6,11-16H2,1-2H3
InChIKeyWZZANRVDJQQPGQ-UHFFFAOYSA-N
XLogP3.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol?
The IUPAC name of 2-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol (CID 71601842) is 2-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol is CC(C)(O)CCc1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 2-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol?
The InChIKey is WZZANRVDJQQPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-19(2,21)12-11-17-7-9-18(10-8-17)22-16-6-15-20-13-4-3-5-14-20/h7-10,21H,3-6,11-16H2,1-2H3.
What are the key properties of 2-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol?
2-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol has a molecular weight of 305.46 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol is sourced from PubChem (CID 71601842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).