4-(7-phenylheptan-2-yl)pyridine

C18H23N — CID 14883828

IUPAC4-(7-phenylheptan-2-yl)pyridine
SMILESCC(CCCCCc1ccccc1)c1ccncc1
InChIInChI=1S/C18H23N/c1-16(18-12-14-19-15-13-18)8-4-2-5-9-17-10-6-3-7-11-17/h3,6-7,10-16H,2,4-5,8-9H2,1H3
InChIKeyZEWCJGDSRGXUGO-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.99
Rot. Bonds7

About 4-(7-phenylheptan-2-yl)pyridine

4-(7-phenylheptan-2-yl)pyridine (PubChem CID 14883828) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(7-phenylheptan-2-yl)pyridine.

Molecular Properties

Compound Name4-(7-phenylheptan-2-yl)pyridine
PubChem CID14883828
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-(7-phenylheptan-2-yl)pyridine
SMILESCC(CCCCCc1ccccc1)c1ccncc1
InChIInChI=1S/C18H23N/c1-16(18-12-14-19-15-13-18)8-4-2-5-9-17-10-6-3-7-11-17/h3,6-7,10-16H,2,4-5,8-9H2,1H3
InChIKeyZEWCJGDSRGXUGO-UHFFFAOYSA-N
XLogP4.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.99
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

6-phenylhexan-2-ylbenzene
CID 19704587
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28646793
4-(4-methyl-1-phenylpentan-3-yl)pyridine
CID 19783307
4-(3-bromo-5-phenylpentan-2-yl)pyridine
CID 66452661
dodecylbenzene;pyridine
CID 174718010
5-methylheptylbenzene
CID 564254
4-[(2S)-pentan-2-yl]pyridine
CID 166675231
4-phenyl-N-(2-phenylethyl)pentan-1-amine
CID 57323485
2,14-diphenylpentadecan-8-ol
CID 71175182

Frequently Asked Questions

What is the IUPAC name of 4-(7-phenylheptan-2-yl)pyridine?
The IUPAC name of 4-(7-phenylheptan-2-yl)pyridine (CID 14883828) is 4-(7-phenylheptan-2-yl)pyridine.
What is the SMILES notation for 4-(7-phenylheptan-2-yl)pyridine?
The canonical SMILES for 4-(7-phenylheptan-2-yl)pyridine is CC(CCCCCc1ccccc1)c1ccncc1.
What is the InChIKey of 4-(7-phenylheptan-2-yl)pyridine?
The InChIKey is ZEWCJGDSRGXUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-16(18-12-14-19-15-13-18)8-4-2-5-9-17-10-6-3-7-11-17/h3,6-7,10-16H,2,4-5,8-9H2,1H3.
What are the key properties of 4-(7-phenylheptan-2-yl)pyridine?
4-(7-phenylheptan-2-yl)pyridine has a molecular weight of 253.39 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-phenylheptan-2-yl)pyridine is sourced from PubChem (CID 14883828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).