4-(azepan-4-ylmethyl)phenol

C13H19NO — CID 83261604

IUPAC4-(azepan-4-ylmethyl)phenol
SMILESOc1ccc(CC2CCCNCC2)cc1
InChIInChI=1S/C13H19NO/c15-13-5-3-12(4-6-13)10-11-2-1-8-14-9-7-11/h3-6,11,14-15H,1-2,7-10H2
InChIKeyUJUUBGCVMUYVIE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.32
Rot. Bonds2

About 4-(azepan-4-ylmethyl)phenol

4-(azepan-4-ylmethyl)phenol (PubChem CID 83261604) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(azepan-4-ylmethyl)phenol.

Molecular Properties

Compound Name4-(azepan-4-ylmethyl)phenol
PubChem CID83261604
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(azepan-4-ylmethyl)phenol
SMILESOc1ccc(CC2CCCNCC2)cc1
InChIInChI=1S/C13H19NO/c15-13-5-3-12(4-6-13)10-11-2-1-8-14-9-7-11/h3-6,11,14-15H,1-2,7-10H2
InChIKeyUJUUBGCVMUYVIE-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(piperidin-4-ylmethyl)phenol
CID 17039495
4-[2-(azepan-4-yl)ethyl]phenol
CID 84685003
4-[(4-iodophenyl)methyl]azepane
CID 83262135
3-(azepan-4-ylmethyl)phenol
CID 83261812
4-(azepan-4-ylmethylsulfanylmethyl)phenol
CID 115070892
4-[[4-[(4-hydroxyphenyl)methyl]cyclohexyl]methyl]phenol
CID 86168962
4-[(3,4-dichlorophenyl)methyl]azepane
CID 83261164
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
4-[[4-(methoxymethyl)phenyl]methyl]piperidine
CID 84786985
4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
CID 116988438
4-[(3-bromo-4-fluorophenyl)methyl]azepane
CID 83262334
4-(piperidin-4-ylmethyl)benzonitrile
CID 11644367

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-4-ylmethyl)phenol?
The IUPAC name of 4-(azepan-4-ylmethyl)phenol (CID 83261604) is 4-(azepan-4-ylmethyl)phenol.
What is the SMILES notation for 4-(azepan-4-ylmethyl)phenol?
The canonical SMILES for 4-(azepan-4-ylmethyl)phenol is Oc1ccc(CC2CCCNCC2)cc1.
What is the InChIKey of 4-(azepan-4-ylmethyl)phenol?
The InChIKey is UJUUBGCVMUYVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-13-5-3-12(4-6-13)10-11-2-1-8-14-9-7-11/h3-6,11,14-15H,1-2,7-10H2.
What are the key properties of 4-(azepan-4-ylmethyl)phenol?
4-(azepan-4-ylmethyl)phenol has a molecular weight of 205.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-4-ylmethyl)phenol is sourced from PubChem (CID 83261604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).