2-[4-[1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-5-propylpyrimidine

C20H35N5 — CID 56876557

IUPAC2-[4-[1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-5-propylpyrimidine
SMILESCCCc1cnc(N2CCN(C3CCN(CC(C)C)CC3)CC2)nc1
InChIInChI=1S/C20H35N5/c1-4-5-18-14-21-20(22-15-18)25-12-10-24(11-13-25)19-6-8-23(9-7-19)16-17(2)3/h14-15,17,19H,4-13,16H2,1-3H3
InChIKeyHPLASBFAZHGTLI-UHFFFAOYSA-N
MW345.54 g/mol
LogP2.67
Rot. Bonds6

About 2-[4-[1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-5-propylpyrimidine

2-[4-[1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-5-propylpyrimidine (PubChem CID 56876557) has the molecular formula C20H35N5 and a molecular weight of 345.54 g/mol. Its IUPAC name is 2-[4-[1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-5-propylpyrimidine.

Molecular Properties

Compound Name2-[4-[1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-5-propylpyrimidine
PubChem CID56876557
Molecular FormulaC20H35N5
Molecular Weight345.54 g/mol
Exact Mass345.29
IUPAC Name2-[4-[1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-5-propylpyrimidine
SMILESCCCc1cnc(N2CCN(C3CCN(CC(C)C)CC3)CC2)nc1
InChIInChI=1S/C20H35N5/c1-4-5-18-14-21-20(22-15-18)25-12-10-24(11-13-25)19-6-8-23(9-7-19)16-17(2)3/h14-15,17,19H,4-13,16H2,1-3H3
InChIKeyHPLASBFAZHGTLI-UHFFFAOYSA-N
XLogP2.67
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-5-propylpyrimidine?
The IUPAC name of 2-[4-[1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-5-propylpyrimidine (CID 56876557) is 2-[4-[1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-5-propylpyrimidine.
What is the SMILES notation for 2-[4-[1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-5-propylpyrimidine?
The canonical SMILES for 2-[4-[1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-5-propylpyrimidine is CCCc1cnc(N2CCN(C3CCN(CC(C)C)CC3)CC2)nc1.
What is the InChIKey of 2-[4-[1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-5-propylpyrimidine?
The InChIKey is HPLASBFAZHGTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5/c1-4-5-18-14-21-20(22-15-18)25-12-10-24(11-13-25)19-6-8-23(9-7-19)16-17(2)3/h14-15,17,19H,4-13,16H2,1-3H3.
What are the key properties of 2-[4-[1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-5-propylpyrimidine?
2-[4-[1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-5-propylpyrimidine has a molecular weight of 345.54 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-methylpropyl)piperidin-4-yl]piperazin-1-yl]-5-propylpyrimidine is sourced from PubChem (CID 56876557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).