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

C20H26N4 — CID 112883873

IUPAC2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
SMILESc1ccc(CC2CCN(c3nccc(N4CCCC4)n3)CC2)cc1
InChIInChI=1S/C20H26N4/c1-2-6-17(7-3-1)16-18-9-14-24(15-10-18)20-21-11-8-19(22-20)23-12-4-5-13-23/h1-3,6-8,11,18H,4-5,9-10,12-16H2
InChIKeyXVMVCFDLVVLDLJ-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.54
Rot. Bonds4

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

2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine (PubChem CID 112883873) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
PubChem CID112883873
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
SMILESc1ccc(CC2CCN(c3nccc(N4CCCC4)n3)CC2)cc1
InChIInChI=1S/C20H26N4/c1-2-6-17(7-3-1)16-18-9-14-24(15-10-18)20-21-11-8-19(22-20)23-12-4-5-13-23/h1-3,6-8,11,18H,4-5,9-10,12-16H2
InChIKeyXVMVCFDLVVLDLJ-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
CID 112900751
4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 112888435
[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-4-yl]-pyrrolidin-1-ylmethanone
CID 109297729
2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine
CID 112900795
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112883991
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine
CID 112900822
4-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883410
2-(4-benzylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
CID 112894699

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine (CID 112883873) is 2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine is c1ccc(CC2CCN(c3nccc(N4CCCC4)n3)CC2)cc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine?
The InChIKey is XVMVCFDLVVLDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-2-6-17(7-3-1)16-18-9-14-24(15-10-18)20-21-11-8-19(22-20)23-12-4-5-13-23/h1-3,6-8,11,18H,4-5,9-10,12-16H2.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine?
2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine has a molecular weight of 322.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 112883873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).