4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol

C17H27NO — CID 82188002

IUPAC4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol
SMILESCC1CC(C)CN(CCCCc2ccc(O)cc2)C1
InChIInChI=1S/C17H27NO/c1-14-11-15(2)13-18(12-14)10-4-3-5-16-6-8-17(19)9-7-16/h6-9,14-15,19H,3-5,10-13H2,1-2H3
InChIKeyCQXRWRQULOLMPE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.69
Rot. Bonds5

About 4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol

4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol (PubChem CID 82188002) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol.

Molecular Properties

Compound Name4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol
PubChem CID82188002
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol
SMILESCC1CC(C)CN(CCCCc2ccc(O)cc2)C1
InChIInChI=1S/C17H27NO/c1-14-11-15(2)13-18(12-14)10-4-3-5-16-6-8-17(19)9-7-16/h6-9,14-15,19H,3-5,10-13H2,1-2H3
InChIKeyCQXRWRQULOLMPE-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol?
The IUPAC name of 4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol (CID 82188002) is 4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol.
What is the SMILES notation for 4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol?
The canonical SMILES for 4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol is CC1CC(C)CN(CCCCc2ccc(O)cc2)C1.
What is the InChIKey of 4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol?
The InChIKey is CQXRWRQULOLMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-11-15(2)13-18(12-14)10-4-3-5-16-6-8-17(19)9-7-16/h6-9,14-15,19H,3-5,10-13H2,1-2H3.
What are the key properties of 4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol?
4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol has a molecular weight of 261.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol is sourced from PubChem (CID 82188002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).