4-[2-(azepan-4-yl)ethyl]phenol

C14H21NO — CID 84685003

IUPAC4-[2-(azepan-4-yl)ethyl]phenol
SMILESOc1ccc(CCC2CCCNCC2)cc1
InChIInChI=1S/C14H21NO/c16-14-7-5-13(6-8-14)4-3-12-2-1-10-15-11-9-12/h5-8,12,15-16H,1-4,9-11H2
InChIKeyDEKRCWZWTSUFOF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.71
Rot. Bonds3

About 4-[2-(azepan-4-yl)ethyl]phenol

4-[2-(azepan-4-yl)ethyl]phenol (PubChem CID 84685003) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[2-(azepan-4-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(azepan-4-yl)ethyl]phenol
PubChem CID84685003
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-[2-(azepan-4-yl)ethyl]phenol
SMILESOc1ccc(CCC2CCCNCC2)cc1
InChIInChI=1S/C14H21NO/c16-14-7-5-13(6-8-14)4-3-12-2-1-10-15-11-9-12/h5-8,12,15-16H,1-4,9-11H2
InChIKeyDEKRCWZWTSUFOF-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azepan-4-ylmethyl)phenol
CID 83261604
4-(azepan-4-ylmethylsulfanylmethyl)phenol
CID 115070892
4-(piperidin-4-ylmethyl)phenol
CID 17039495
4-[2-(azepan-4-ylsulfanyl)ethyl]phenol
CID 115070669
N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide
CID 61236571
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
4-(2-piperidin-3-ylethyl)benzenethiol
CID 142937615
4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid
CID 134366951
2-[(4R)-azepan-4-yl]ethanol
CID 98601299
4-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 22750908
4-[2-(4-butan-2-ylphenyl)ethyl]piperidine
CID 116925672
3-(azepan-4-ylmethyl)phenol
CID 83261812

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azepan-4-yl)ethyl]phenol?
The IUPAC name of 4-[2-(azepan-4-yl)ethyl]phenol (CID 84685003) is 4-[2-(azepan-4-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-(azepan-4-yl)ethyl]phenol?
The canonical SMILES for 4-[2-(azepan-4-yl)ethyl]phenol is Oc1ccc(CCC2CCCNCC2)cc1.
What is the InChIKey of 4-[2-(azepan-4-yl)ethyl]phenol?
The InChIKey is DEKRCWZWTSUFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c16-14-7-5-13(6-8-14)4-3-12-2-1-10-15-11-9-12/h5-8,12,15-16H,1-4,9-11H2.
What are the key properties of 4-[2-(azepan-4-yl)ethyl]phenol?
4-[2-(azepan-4-yl)ethyl]phenol has a molecular weight of 219.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azepan-4-yl)ethyl]phenol is sourced from PubChem (CID 84685003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).