4-(6-phenylhexyl)pyridine;hydrochloride

C17H22ClN — CID 117067698

IUPAC4-(6-phenylhexyl)pyridine;hydrochloride
SMILESCl.c1ccc(CCCCCCc2ccncc2)cc1
InChIInChI=1S/C17H21N.ClH/c1(4-8-16-9-6-3-7-10-16)2-5-11-17-12-14-18-15-13-17;/h3,6-7,9-10,12-15H,1-2,4-5,8,11H2;1H
InChIKeyCSJSCIDOLDJZJL-UHFFFAOYSA-N
MW275.82 g/mol
LogP4.85
Rot. Bonds7

About 4-(6-phenylhexyl)pyridine;hydrochloride

4-(6-phenylhexyl)pyridine;hydrochloride (PubChem CID 117067698) has the molecular formula C17H22ClN and a molecular weight of 275.82 g/mol. Its IUPAC name is 4-(6-phenylhexyl)pyridine;hydrochloride.

Molecular Properties

Compound Name4-(6-phenylhexyl)pyridine;hydrochloride
PubChem CID117067698
Molecular FormulaC17H22ClN
Molecular Weight275.82 g/mol
Exact Mass275.14
IUPAC Name4-(6-phenylhexyl)pyridine;hydrochloride
SMILESCl.c1ccc(CCCCCCc2ccncc2)cc1
InChIInChI=1S/C17H21N.ClH/c1(4-8-16-9-6-3-7-10-16)2-5-11-17-12-14-18-15-13-17;/h3,6-7,9-10,12-15H,1-2,4-5,8,11H2;1H
InChIKeyCSJSCIDOLDJZJL-UHFFFAOYSA-N
XLogP4.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
4-(5-phenoxypentyl)pyridine
CID 117060417
4-phenylbutylbenzene
CID 141301927
CID 24746170
CID 24746170
dodecylbenzene;pyridine
CID 174718010
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
4-(6-bromohexyl)pyridine
CID 10633887
5-pyridin-4-ylpentylazanium chloride
CID 23273749
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972

Frequently Asked Questions

What is the IUPAC name of 4-(6-phenylhexyl)pyridine;hydrochloride?
The IUPAC name of 4-(6-phenylhexyl)pyridine;hydrochloride (CID 117067698) is 4-(6-phenylhexyl)pyridine;hydrochloride.
What is the SMILES notation for 4-(6-phenylhexyl)pyridine;hydrochloride?
The canonical SMILES for 4-(6-phenylhexyl)pyridine;hydrochloride is Cl.c1ccc(CCCCCCc2ccncc2)cc1.
What is the InChIKey of 4-(6-phenylhexyl)pyridine;hydrochloride?
The InChIKey is CSJSCIDOLDJZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.ClH/c1(4-8-16-9-6-3-7-10-16)2-5-11-17-12-14-18-15-13-17;/h3,6-7,9-10,12-15H,1-2,4-5,8,11H2;1H.
What are the key properties of 4-(6-phenylhexyl)pyridine;hydrochloride?
4-(6-phenylhexyl)pyridine;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenylhexyl)pyridine;hydrochloride is sourced from PubChem (CID 117067698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).