4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine

C22H30N4 — CID 112900751

IUPAC4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCCN(c2nccc(N3CCC(Cc4ccccc4)CC3)n2)C1
InChIInChI=1S/C22H30N4/c1-18-6-5-13-26(17-18)22-23-12-9-21(24-22)25-14-10-20(11-15-25)16-19-7-3-2-4-8-19/h2-4,7-9,12,18,20H,5-6,10-11,13-17H2,1H3
InChIKeyQOKBTFQOYZJMQJ-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.17
Rot. Bonds4

About 4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine

4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine (PubChem CID 112900751) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
PubChem CID112900751
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCCN(c2nccc(N3CCC(Cc4ccccc4)CC3)n2)C1
InChIInChI=1S/C22H30N4/c1-18-6-5-13-26(17-18)22-23-12-9-21(24-22)25-14-10-20(11-15-25)16-19-7-3-2-4-8-19/h2-4,7-9,12,18,20H,5-6,10-11,13-17H2,1H3
InChIKeyQOKBTFQOYZJMQJ-UHFFFAOYSA-N
XLogP4.17
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 112883873
2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128
4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 112888435
1-[4-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888860
4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112883991
2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine
CID 112900795
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541545
4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 112909489
[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264110
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109288459
(4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109309444

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine (CID 112900751) is 4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine is CC1CCCN(c2nccc(N3CCC(Cc4ccccc4)CC3)n2)C1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine?
The InChIKey is QOKBTFQOYZJMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-18-6-5-13-26(17-18)22-23-12-9-21(24-22)25-14-10-20(11-15-25)16-19-7-3-2-4-8-19/h2-4,7-9,12,18,20H,5-6,10-11,13-17H2,1H3.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine?
4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine has a molecular weight of 350.51 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 112900751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).