4-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridine

C14H24N2 — CID 118123301

IUPAC4-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridine
SMILESCN1CCC(CCCC2=CCNC=C2)CC1
InChIInChI=1S/C14H24N2/c1-16-11-7-14(8-12-16)4-2-3-13-5-9-15-10-6-13/h5-6,9,14-15H,2-4,7-8,10-12H2,1H3
InChIKeyVWXGJNNQZHCGDR-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.54
Rot. Bonds4

About 4-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridine

4-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridine (PubChem CID 118123301) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name4-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridine
PubChem CID118123301
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridine
SMILESCN1CCC(CCCC2=CCNC=C2)CC1
InChIInChI=1S/C14H24N2/c1-16-11-7-14(8-12-16)4-2-3-13-5-9-15-10-6-13/h5-6,9,14-15H,2-4,7-8,10-12H2,1H3
InChIKeyVWXGJNNQZHCGDR-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridine?
The IUPAC name of 4-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridine (CID 118123301) is 4-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridine.
What is the SMILES notation for 4-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridine?
The canonical SMILES for 4-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridine is CN1CCC(CCCC2=CCNC=C2)CC1.
What is the InChIKey of 4-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridine?
The InChIKey is VWXGJNNQZHCGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-16-11-7-14(8-12-16)4-2-3-13-5-9-15-10-6-13/h5-6,9,14-15H,2-4,7-8,10-12H2,1H3.
What are the key properties of 4-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridine?
4-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridine has a molecular weight of 220.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridine is sourced from PubChem (CID 118123301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).