5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine

C22H32N6 — CID 72908565

IUPAC5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine
SMILESCCCc1cncnc1N1CCC(N2CCN(Cc3ccccn3)CC2)CC1
InChIInChI=1S/C22H32N6/c1-2-5-19-16-23-18-25-22(19)28-10-7-21(8-11-28)27-14-12-26(13-15-27)17-20-6-3-4-9-24-20/h3-4,6,9,16,18,21H,2,5,7-8,10-15,17H2,1H3
InChIKeyYPUPVOGJFXJVST-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.61
Rot. Bonds6

About 5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine

5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine (PubChem CID 72908565) has the molecular formula C22H32N6 and a molecular weight of 380.54 g/mol. Its IUPAC name is 5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine
PubChem CID72908565
Molecular FormulaC22H32N6
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC Name5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine
SMILESCCCc1cncnc1N1CCC(N2CCN(Cc3ccccn3)CC2)CC1
InChIInChI=1S/C22H32N6/c1-2-5-19-16-23-18-25-22(19)28-10-7-21(8-11-28)27-14-12-26(13-15-27)17-20-6-3-4-9-24-20/h3-4,6,9,16,18,21H,2,5,7-8,10-15,17H2,1H3
InChIKeyYPUPVOGJFXJVST-UHFFFAOYSA-N
XLogP2.61
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 762879
5-propyl-4-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine
CID 95724904
1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine
CID 787081
oxalic acid;1-phenyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazine
CID 2912739
5-cyclopropyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185554
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(5-propylpyrimidin-4-yl)piperidin-4-amine
CID 97276902
4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 171327392
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552735
[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 118771316

Frequently Asked Questions

What is the IUPAC name of 5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine (CID 72908565) is 5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine is CCCc1cncnc1N1CCC(N2CCN(Cc3ccccn3)CC2)CC1.
What is the InChIKey of 5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine?
The InChIKey is YPUPVOGJFXJVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6/c1-2-5-19-16-23-18-25-22(19)28-10-7-21(8-11-28)27-14-12-26(13-15-27)17-20-6-3-4-9-24-20/h3-4,6,9,16,18,21H,2,5,7-8,10-15,17H2,1H3.
What are the key properties of 5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine?
5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine has a molecular weight of 380.54 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-4-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 72908565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).