5-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine

C14H24N2 — CID 134364993

IUPAC5-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine
SMILESCC(C)C1CC=C(C2CCN(C)CC2)C=N1
InChIInChI=1S/C14H24N2/c1-11(2)14-5-4-13(10-15-14)12-6-8-16(3)9-7-12/h4,10-12,14H,5-9H2,1-3H3
InChIKeyWKZKIRUNOVHQGW-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.75
Rot. Bonds2

About 5-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine

5-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine (PubChem CID 134364993) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine
PubChem CID134364993
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name5-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine
SMILESCC(C)C1CC=C(C2CCN(C)CC2)C=N1
InChIInChI=1S/C14H24N2/c1-11(2)14-5-4-13(10-15-14)12-6-8-16(3)9-7-12/h4,10-12,14H,5-9H2,1-3H3
InChIKeyWKZKIRUNOVHQGW-UHFFFAOYSA-N
XLogP2.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine?
The IUPAC name of 5-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine (CID 134364993) is 5-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine is CC(C)C1CC=C(C2CCN(C)CC2)C=N1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine?
The InChIKey is WKZKIRUNOVHQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(2)14-5-4-13(10-15-14)12-6-8-16(3)9-7-12/h4,10-12,14H,5-9H2,1-3H3.
What are the key properties of 5-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine?
5-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine has a molecular weight of 220.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 134364993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).