4-(4-phenylbutyl)pyridine;hydrochloride

C15H18ClN — CID 117066828

IUPAC4-(4-phenylbutyl)pyridine;hydrochloride
SMILESCl.c1ccc(CCCCc2ccncc2)cc1
InChIInChI=1S/C15H17N.ClH/c1-2-6-14(7-3-1)8-4-5-9-15-10-12-16-13-11-15;/h1-3,6-7,10-13H,4-5,8-9H2;1H
InChIKeyNNAGMUCPNQRFMU-UHFFFAOYSA-N
MW247.77 g/mol
LogP4.07
Rot. Bonds5

About 4-(4-phenylbutyl)pyridine;hydrochloride

4-(4-phenylbutyl)pyridine;hydrochloride (PubChem CID 117066828) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is 4-(4-phenylbutyl)pyridine;hydrochloride.

Molecular Properties

Compound Name4-(4-phenylbutyl)pyridine;hydrochloride
PubChem CID117066828
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC Name4-(4-phenylbutyl)pyridine;hydrochloride
SMILESCl.c1ccc(CCCCc2ccncc2)cc1
InChIInChI=1S/C15H17N.ClH/c1-2-6-14(7-3-1)8-4-5-9-15-10-12-16-13-11-15;/h1-3,6-7,10-13H,4-5,8-9H2;1H
InChIKeyNNAGMUCPNQRFMU-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 54.07
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-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
4-phenylbutylbenzene
CID 141301927
CID 24746170
CID 24746170
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-(5-phenoxypentyl)pyridine
CID 117060417
4-phenylbutan-1-amine;hydrochloride
CID 44630065
dodecylbenzene;pyridine
CID 174718010
6-phenyl-1-pyridin-4-ylhexan-3-one
CID 105093114

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylbutyl)pyridine;hydrochloride?
The IUPAC name of 4-(4-phenylbutyl)pyridine;hydrochloride (CID 117066828) is 4-(4-phenylbutyl)pyridine;hydrochloride.
What is the SMILES notation for 4-(4-phenylbutyl)pyridine;hydrochloride?
The canonical SMILES for 4-(4-phenylbutyl)pyridine;hydrochloride is Cl.c1ccc(CCCCc2ccncc2)cc1.
What is the InChIKey of 4-(4-phenylbutyl)pyridine;hydrochloride?
The InChIKey is NNAGMUCPNQRFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.ClH/c1-2-6-14(7-3-1)8-4-5-9-15-10-12-16-13-11-15;/h1-3,6-7,10-13H,4-5,8-9H2;1H.
What are the key properties of 4-(4-phenylbutyl)pyridine;hydrochloride?
4-(4-phenylbutyl)pyridine;hydrochloride has a molecular weight of 247.77 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylbutyl)pyridine;hydrochloride is sourced from PubChem (CID 117066828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).