2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine

C22H38N6 — CID 171429381

IUPAC2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CC(CN3CCN(C4CCN(C(C)(C)C)CC4)CC3)C2)nc1
InChIInChI=1S/C22H38N6/c1-18-13-23-21(24-14-18)27-16-19(17-27)15-25-9-11-26(12-10-25)20-5-7-28(8-6-20)22(2,3)4/h13-14,19-20H,5-12,15-17H2,1-4H3
InChIKeyZPRKWCNGAXOOLN-UHFFFAOYSA-N
MW386.59 g/mol
LogP2.10
Rot. Bonds4

About 2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine

2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine (PubChem CID 171429381) has the molecular formula C22H38N6 and a molecular weight of 386.59 g/mol. Its IUPAC name is 2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine
PubChem CID171429381
Molecular FormulaC22H38N6
Molecular Weight386.59 g/mol
Exact Mass386.32
IUPAC Name2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CC(CN3CCN(C4CCN(C(C)(C)C)CC4)CC3)C2)nc1
InChIInChI=1S/C22H38N6/c1-18-13-23-21(24-14-18)27-16-19(17-27)15-25-9-11-26(12-10-25)20-5-7-28(8-6-20)22(2,3)4/h13-14,19-20H,5-12,15-17H2,1-4H3
InChIKeyZPRKWCNGAXOOLN-UHFFFAOYSA-N
XLogP2.10
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine with MolForge

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Related Compounds

2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine
CID 171429388
9-[(1-tert-butylpiperidin-4-yl)methyl]-3-(5-methylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecane
CID 171429536
1-tert-butyl-4-[1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidin-4-yl]piperazine
CID 168727139
1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine
CID 174314011
1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 171429399
2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine
CID 171070178
1-tert-butyl-4-[1-[(1-tert-butylazetidin-3-yl)methyl]azetidin-3-yl]piperazine
CID 172511600
8-(5-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 134076046
4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 100694112
1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine
CID 176841742
2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 114800840
1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine
CID 171576643

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine?
The IUPAC name of 2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine (CID 171429381) is 2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine is Cc1cnc(N2CC(CN3CCN(C4CCN(C(C)(C)C)CC4)CC3)C2)nc1.
What is the InChIKey of 2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine?
The InChIKey is ZPRKWCNGAXOOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N6/c1-18-13-23-21(24-14-18)27-16-19(17-27)15-25-9-11-26(12-10-25)20-5-7-28(8-6-20)22(2,3)4/h13-14,19-20H,5-12,15-17H2,1-4H3.
What are the key properties of 2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine?
2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine has a molecular weight of 386.59 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 171429381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).