2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine

C18H31N3O — CID 67545933

IUPAC2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine
SMILESCC[C@H](COC1=CC=CNC1C1CCNCC1)N1CCCC1
InChIInChI=1S/C18H31N3O/c1-2-16(21-12-3-4-13-21)14-22-17-6-5-9-20-18(17)15-7-10-19-11-8-15/h5-6,9,15-16,18-20H,2-4,7-8,10-14H2,1H3/t16-,18?/m1/s1
InChIKeyRFOAVAMKCKZUDG-PYUWXLGESA-N
MW305.47 g/mol
LogP2.25
Rot. Bonds6

About 2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine

2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine (PubChem CID 67545933) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine.

Molecular Properties

Compound Name2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine
PubChem CID67545933
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine
SMILESCC[C@H](COC1=CC=CNC1C1CCNCC1)N1CCCC1
InChIInChI=1S/C18H31N3O/c1-2-16(21-12-3-4-13-21)14-22-17-6-5-9-20-18(17)15-7-10-19-11-8-15/h5-6,9,15-16,18-20H,2-4,7-8,10-14H2,1H3/t16-,18?/m1/s1
InChIKeyRFOAVAMKCKZUDG-PYUWXLGESA-N
XLogP2.25
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine;trihydrochloride
CID 67545929
2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine;trihydrochloride
CID 67545932
3-Methoxy-2-piperidin-4-yl-1,2-dihydropyridine
CID 118610409
8-hexoxy-3,4b,8a,9-tetrahydro-2H-carbazole
CID 135195918
2-(Cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine;3-methylpiperidine
CID 169112914
6-piperidin-4-yl-5-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine
CID 67545930

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine?
The IUPAC name of 2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine (CID 67545933) is 2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine.
What is the SMILES notation for 2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine?
The canonical SMILES for 2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine is CC[C@H](COC1=CC=CNC1C1CCNCC1)N1CCCC1.
What is the InChIKey of 2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine?
The InChIKey is RFOAVAMKCKZUDG-PYUWXLGESA-N. The full InChI is InChI=1S/C18H31N3O/c1-2-16(21-12-3-4-13-21)14-22-17-6-5-9-20-18(17)15-7-10-19-11-8-15/h5-6,9,15-16,18-20H,2-4,7-8,10-14H2,1H3/t16-,18?/m1/s1.
What are the key properties of 2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine?
2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine has a molecular weight of 305.47 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-3-[(2R)-2-pyrrolidin-1-ylbutoxy]-1,2-dihydropyridine is sourced from PubChem (CID 67545933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).