2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine

C19H24N2O — CID 133464611

IUPAC2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine
SMILESCc1cc(N2CCC(OCCc3ccccc3)CC2)ccn1
InChIInChI=1S/C19H24N2O/c1-16-15-18(7-11-20-16)21-12-8-19(9-13-21)22-14-10-17-5-3-2-4-6-17/h2-7,11,15,19H,8-10,12-14H2,1H3
InChIKeyJINLGWJKZDXBBI-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.62
Rot. Bonds5

About 2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine

2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine (PubChem CID 133464611) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine
PubChem CID133464611
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine
SMILESCc1cc(N2CCC(OCCc3ccccc3)CC2)ccn1
InChIInChI=1S/C19H24N2O/c1-16-15-18(7-11-20-16)21-12-8-19(9-13-21)22-14-10-17-5-3-2-4-6-17/h2-7,11,15,19H,8-10,12-14H2,1H3
InChIKeyJINLGWJKZDXBBI-UHFFFAOYSA-N
XLogP3.62
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine?
The IUPAC name of 2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine (CID 133464611) is 2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine.
What is the SMILES notation for 2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine?
The canonical SMILES for 2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine is Cc1cc(N2CCC(OCCc3ccccc3)CC2)ccn1.
What is the InChIKey of 2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine?
The InChIKey is JINLGWJKZDXBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-16-15-18(7-11-20-16)21-12-8-19(9-13-21)22-14-10-17-5-3-2-4-6-17/h2-7,11,15,19H,8-10,12-14H2,1H3.
What are the key properties of 2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine?
2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine has a molecular weight of 296.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine is sourced from PubChem (CID 133464611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).