4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine

C22H31N5 — CID 112888435

IUPAC4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine
SMILESCCN1CCN(c2nccc(N3CCC(Cc4ccccc4)CC3)n2)CC1
InChIInChI=1S/C22H31N5/c1-2-25-14-16-27(17-15-25)22-23-11-8-21(24-22)26-12-9-20(10-13-26)18-19-6-4-3-5-7-19/h3-8,11,20H,2,9-10,12-18H2,1H3
InChIKeyOSKGSLKNFSVFNF-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.08
Rot. Bonds5

About 4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine

4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine (PubChem CID 112888435) has the molecular formula C22H31N5 and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine
PubChem CID112888435
Molecular FormulaC22H31N5
Molecular Weight365.52 g/mol
Exact Mass365.26
IUPAC Name4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine
SMILESCCN1CCN(c2nccc(N3CCC(Cc4ccccc4)CC3)n2)CC1
InChIInChI=1S/C22H31N5/c1-2-25-14-16-27(17-15-25)22-23-11-8-21(24-22)26-12-9-20(10-13-26)18-19-6-4-3-5-7-19/h3-8,11,20H,2,9-10,12-18H2,1H3
InChIKeyOSKGSLKNFSVFNF-UHFFFAOYSA-N
XLogP3.08
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 112883873
2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885063
4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
CID 112900751
1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888374
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541545
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine
CID 112900795
5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112946013
(3R)-1-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95128882
4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 112909489
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine (CID 112888435) is 4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine is CCN1CCN(c2nccc(N3CCC(Cc4ccccc4)CC3)n2)CC1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine?
The InChIKey is OSKGSLKNFSVFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5/c1-2-25-14-16-27(17-15-25)22-23-11-8-21(24-22)26-12-9-20(10-13-26)18-19-6-4-3-5-7-19/h3-8,11,20H,2,9-10,12-18H2,1H3.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine?
4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine has a molecular weight of 365.52 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 112888435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).