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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Related Compounds

5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 2811492
2-piperidin-1-yl-5-propylpyrimidine
CID 123831355
1-(5-propylpyrimidin-2-yl)piperidine-4-sulfonic acid
CID 151995167
2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine
CID 131998952
ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine
CID 168923399
1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine
CID 155459870
(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol
CID 95111576
[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methanesulfonic acid
CID 86658031
5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane
CID 145380179
1-(2-methylpropyl)-4-[4-(2-methylpropyl)piperidin-1-yl]piperidine
CID 177321679
2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine
CID 131998942
8-[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 167109879

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).