2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine

C15H25N3 — CID 66805437

IUPAC2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine
SMILESCC(C)(C)CC1CCN(Cc2ncccn2)CC1
InChIInChI=1S/C15H25N3/c1-15(2,3)11-13-5-9-18(10-6-13)12-14-16-7-4-8-17-14/h4,7-8,13H,5-6,9-12H2,1-3H3
InChIKeyUQAVHWVHCBPFLJ-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.12
Rot. Bonds3

About 2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine

2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine (PubChem CID 66805437) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine
PubChem CID66805437
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine
SMILESCC(C)(C)CC1CCN(Cc2ncccn2)CC1
InChIInChI=1S/C15H25N3/c1-15(2,3)11-13-5-9-18(10-6-13)12-14-16-7-4-8-17-14/h4,7-8,13H,5-6,9-12H2,1-3H3
InChIKeyUQAVHWVHCBPFLJ-UHFFFAOYSA-N
XLogP3.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine (CID 66805437) is 2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine is CC(C)(C)CC1CCN(Cc2ncccn2)CC1.
What is the InChIKey of 2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is UQAVHWVHCBPFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,3)11-13-5-9-18(10-6-13)12-14-16-7-4-8-17-14/h4,7-8,13H,5-6,9-12H2,1-3H3.
What are the key properties of 2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine?
2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 247.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 66805437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).