5-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]pyridine

C16H25N3 — CID 50948063

IUPAC5-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]pyridine
SMILESCc1ccc(C2(CN3CCCC3)CCNCC2)nc1
InChIInChI=1S/C16H25N3/c1-14-4-5-15(18-12-14)16(6-8-17-9-7-16)13-19-10-2-3-11-19/h4-5,12,17H,2-3,6-11,13H2,1H3
InChIKeyHKLMAUARBDVQHE-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.11
Rot. Bonds3

About 5-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]pyridine

5-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]pyridine (PubChem CID 50948063) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 5-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]pyridine
PubChem CID50948063
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name5-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]pyridine
SMILESCc1ccc(C2(CN3CCCC3)CCNCC2)nc1
InChIInChI=1S/C16H25N3/c1-14-4-5-15(18-12-14)16(6-8-17-9-7-16)13-19-10-2-3-11-19/h4-5,12,17H,2-3,6-11,13H2,1H3
InChIKeyHKLMAUARBDVQHE-UHFFFAOYSA-N
XLogP2.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]pyridine?
The IUPAC name of 5-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]pyridine (CID 50948063) is 5-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]pyridine.
What is the SMILES notation for 5-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]pyridine?
The canonical SMILES for 5-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]pyridine is Cc1ccc(C2(CN3CCCC3)CCNCC2)nc1.
What is the InChIKey of 5-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]pyridine?
The InChIKey is HKLMAUARBDVQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-14-4-5-15(18-12-14)16(6-8-17-9-7-16)13-19-10-2-3-11-19/h4-5,12,17H,2-3,6-11,13H2,1H3.
What are the key properties of 5-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]pyridine?
5-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]pyridine has a molecular weight of 259.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]pyridine is sourced from PubChem (CID 50948063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).