4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine

C20H33N5 — CID 51590087

IUPAC4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1cc(CN2CCCC[C@@H]2CN2CCCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C20H33N5/c1-3-11-23(12-4-1)17-19-8-2-5-15-25(19)16-18-9-10-21-20(22-18)24-13-6-7-14-24/h9-10,19H,1-8,11-17H2/t19-/m1/s1
InChIKeyQAWKLLYESJUVRX-LJQANCHMSA-N
MW343.52 g/mol
LogP2.92
Rot. Bonds5

About 4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine

4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine (PubChem CID 51590087) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is 4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
PubChem CID51590087
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC Name4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1cc(CN2CCCC[C@@H]2CN2CCCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C20H33N5/c1-3-11-23(12-4-1)17-19-8-2-5-15-25(19)16-18-9-10-21-20(22-18)24-13-6-7-14-24/h9-10,19H,1-8,11-17H2/t19-/m1/s1
InChIKeyQAWKLLYESJUVRX-LJQANCHMSA-N
XLogP2.92
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 46967162
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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine (CID 51590087) is 4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine is c1cc(CN2CCCC[C@@H]2CN2CCCCC2)nc(N2CCCC2)n1.
What is the InChIKey of 4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is QAWKLLYESJUVRX-LJQANCHMSA-N. The full InChI is InChI=1S/C20H33N5/c1-3-11-23(12-4-1)17-19-8-2-5-15-25(19)16-18-9-10-21-20(22-18)24-13-6-7-14-24/h9-10,19H,1-8,11-17H2/t19-/m1/s1.
What are the key properties of 4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 343.52 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 51590087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).