5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine

C20H33N5 — CID 70744725

IUPAC5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1nc(N2CCCC2)ncc1CN1CCCC(CN2CCCCC2)C1
InChIInChI=1S/C20H33N5/c1-2-8-23(9-3-1)15-18-7-6-10-24(16-18)17-19-13-21-20(22-14-19)25-11-4-5-12-25/h13-14,18H,1-12,15-17H2
InChIKeySEUUOJBAQYKDNG-UHFFFAOYSA-N
MW343.52 g/mol
LogP2.77
Rot. Bonds5

About 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine

5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine (PubChem CID 70744725) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
PubChem CID70744725
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC Name5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1nc(N2CCCC2)ncc1CN1CCCC(CN2CCCCC2)C1
InChIInChI=1S/C20H33N5/c1-2-8-23(9-3-1)15-18-7-6-10-24(16-18)17-19-13-21-20(22-14-19)25-11-4-5-12-25/h13-14,18H,1-12,15-17H2
InChIKeySEUUOJBAQYKDNG-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine (CID 70744725) is 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine is c1nc(N2CCCC2)ncc1CN1CCCC(CN2CCCCC2)C1.
What is the InChIKey of 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is SEUUOJBAQYKDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5/c1-2-8-23(9-3-1)15-18-7-6-10-24(16-18)17-19-13-21-20(22-14-19)25-11-4-5-12-25/h13-14,18H,1-12,15-17H2.
What are the key properties of 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 343.52 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 70744725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).