4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine

C16H25N3 — CID 70748577

IUPAC4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
SMILESc1cc(N2CCCC(CN3CCCCC3)C2)ccn1
InChIInChI=1S/C16H25N3/c1-2-10-18(11-3-1)13-15-5-4-12-19(14-15)16-6-8-17-9-7-16/h6-9,15H,1-5,10-14H2
InChIKeyICQMZYLDDFMTKJ-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.78
Rot. Bonds3

About 4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine

4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine (PubChem CID 70748577) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
PubChem CID70748577
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
SMILESc1cc(N2CCCC(CN3CCCCC3)C2)ccn1
InChIInChI=1S/C16H25N3/c1-2-10-18(11-3-1)13-15-5-4-12-19(14-15)16-6-8-17-9-7-16/h6-9,15H,1-5,10-14H2
InChIKeyICQMZYLDDFMTKJ-UHFFFAOYSA-N
XLogP2.78
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine?
The IUPAC name of 4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine (CID 70748577) is 4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine is c1cc(N2CCCC(CN3CCCCC3)C2)ccn1.
What is the InChIKey of 4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine?
The InChIKey is ICQMZYLDDFMTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-10-18(11-3-1)13-15-5-4-12-19(14-15)16-6-8-17-9-7-16/h6-9,15H,1-5,10-14H2.
What are the key properties of 4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine?
4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine has a molecular weight of 259.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 70748577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).