5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine

C23H39N3 — CID 176934902

IUPAC5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine
SMILESCC(C)c1ccc(N2CCC(CC[C@@H]3CCCN(C(C)C)C3)CC2)nc1
InChIInChI=1S/C23H39N3/c1-18(2)22-9-10-23(24-16-22)25-14-11-20(12-15-25)7-8-21-6-5-13-26(17-21)19(3)4/h9-10,16,18-21H,5-8,11-15,17H2,1-4H3/t21-/m0/s1
InChIKeyCFAANELFAWTYEU-NRFANRHFSA-N
MW357.59 g/mol
LogP5.32
Rot. Bonds6

About 5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine

5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine (PubChem CID 176934902) has the molecular formula C23H39N3 and a molecular weight of 357.59 g/mol. Its IUPAC name is 5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine
PubChem CID176934902
Molecular FormulaC23H39N3
Molecular Weight357.59 g/mol
Exact Mass357.31
IUPAC Name5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine
SMILESCC(C)c1ccc(N2CCC(CC[C@@H]3CCCN(C(C)C)C3)CC2)nc1
InChIInChI=1S/C23H39N3/c1-18(2)22-9-10-23(24-16-22)25-14-11-20(12-15-25)7-8-21-6-5-13-26(17-21)19(3)4/h9-10,16,18-21H,5-8,11-15,17H2,1-4H3/t21-/m0/s1
InChIKeyCFAANELFAWTYEU-NRFANRHFSA-N
XLogP5.32
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.59
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine with MolForge

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Related Compounds

2-[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 141263787
5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 143718986
5-ethyl-2-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]pyridine
CID 178164965
1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine
CID 59410271
2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine
CID 121288951
2-[1-[5-[1-(methylamino)ethyl]-2-pyridinyl]piperidin-3-yl]ethanol
CID 107227771
5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 166045151
1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine
CID 59414393
1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine
CID 155403124
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane
CID 177124106
(1S)-1-[6-(4-methylsulfanylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 114237247

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine?
The IUPAC name of 5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine (CID 176934902) is 5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine.
What is the SMILES notation for 5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine?
The canonical SMILES for 5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine is CC(C)c1ccc(N2CCC(CC[C@@H]3CCCN(C(C)C)C3)CC2)nc1.
What is the InChIKey of 5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine?
The InChIKey is CFAANELFAWTYEU-NRFANRHFSA-N. The full InChI is InChI=1S/C23H39N3/c1-18(2)22-9-10-23(24-16-22)25-14-11-20(12-15-25)7-8-21-6-5-13-26(17-21)19(3)4/h9-10,16,18-21H,5-8,11-15,17H2,1-4H3/t21-/m0/s1.
What are the key properties of 5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine?
5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine has a molecular weight of 357.59 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine is sourced from PubChem (CID 176934902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).