4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine

C21H28N4 — CID 112909489

IUPAC4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(N2CCC(Cc3ccccc3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C21H28N4/c1-17-15-20(23-21(22-17)25-11-5-6-12-25)24-13-9-19(10-14-24)16-18-7-3-2-4-8-18/h2-4,7-8,15,19H,5-6,9-14,16H2,1H3
InChIKeyKNHOEGHHTCSJBC-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.84
Rot. Bonds4

About 4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine

4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine (PubChem CID 112909489) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
PubChem CID112909489
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(N2CCC(Cc3ccccc3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C21H28N4/c1-17-15-20(23-21(22-17)25-11-5-6-12-25)24-13-9-19(10-14-24)16-18-7-3-2-4-8-18/h2-4,7-8,15,19H,5-6,9-14,16H2,1H3
InChIKeyKNHOEGHHTCSJBC-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 112883873
2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112907146
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137
N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112915514
4-methyl-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112909232
4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 112910193
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112922182
2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine
CID 112925852
2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 112916109
2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 112925846
4-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 112925823
4-methyl-6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 155980957

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine (CID 112909489) is 4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine is Cc1cc(N2CCC(Cc3ccccc3)CC2)nc(N2CCCC2)n1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is KNHOEGHHTCSJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-17-15-20(23-21(22-17)25-11-5-6-12-25)24-13-9-19(10-14-24)16-18-7-3-2-4-8-18/h2-4,7-8,15,19H,5-6,9-14,16H2,1H3.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine?
4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 336.48 g/mol, XLogP of 3.84, 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)-6-methyl-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 112909489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).