5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol

C20H33NO2 — CID 52937427

IUPAC5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol
SMILESOCCCCCc1ccc(OCCCN2CCCCCC2)cc1
InChIInChI=1S/C20H33NO2/c22-17-7-3-4-9-19-10-12-20(13-11-19)23-18-8-16-21-14-5-1-2-6-15-21/h10-13,22H,1-9,14-18H2
InChIKeyMQACZBJZLGYOPG-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.04
Rot. Bonds10

About 5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol

5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol (PubChem CID 52937427) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol
PubChem CID52937427
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol
SMILESOCCCCCc1ccc(OCCCN2CCCCCC2)cc1
InChIInChI=1S/C20H33NO2/c22-17-7-3-4-9-19-10-12-20(13-11-19)23-18-8-16-21-14-5-1-2-6-15-21/h10-13,22H,1-9,14-18H2
InChIKeyMQACZBJZLGYOPG-UHFFFAOYSA-N
XLogP4.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.04
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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Related Compounds

6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid
CID 142626546
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
CID 23016534
1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
CID 73346061
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid
CID 166791828
2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 10269848
5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one
CID 54372939
2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
CID 68784634
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 76905275

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol?
The IUPAC name of 5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol (CID 52937427) is 5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol.
What is the SMILES notation for 5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol?
The canonical SMILES for 5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol is OCCCCCc1ccc(OCCCN2CCCCCC2)cc1.
What is the InChIKey of 5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol?
The InChIKey is MQACZBJZLGYOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c22-17-7-3-4-9-19-10-12-20(13-11-19)23-18-8-16-21-14-5-1-2-6-15-21/h10-13,22H,1-9,14-18H2.
What are the key properties of 5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol?
5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol has a molecular weight of 319.49 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol is sourced from PubChem (CID 52937427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).