4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine

C14H23N3 — CID 58359326

IUPAC4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine
SMILESCc1nccc(N2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H23N3/c1-11-15-8-5-13(16-11)17-9-6-12(7-10-17)14(2,3)4/h5,8,12H,6-7,9-10H2,1-4H3
InChIKeyYXHJUKOQZIJDOK-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.05
Rot. Bonds1

About 4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine

4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine (PubChem CID 58359326) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine
PubChem CID58359326
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine
SMILESCc1nccc(N2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C14H23N3/c1-11-15-8-5-13(16-11)17-9-6-12(7-10-17)14(2,3)4/h5,8,12H,6-7,9-10H2,1-4H3
InChIKeyYXHJUKOQZIJDOK-UHFFFAOYSA-N
XLogP3.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine
CID 136528453
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
4-methyl-1-(2-methylpyrimidin-4-yl)piperidin-3-ol
CID 103896105
N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 136553102
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine
CID 86777943
4-(4-cyclopentylpiperazin-1-yl)-2-methylpyrimidine
CID 121184719
1-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976873
ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590
1-(2-methylpyrimidin-4-yl)piperidin-4-one
CID 62785662
6-(4-tert-butylpiperidin-1-yl)pyridin-2-amine
CID 80652934
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 94586892

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine?
The IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine (CID 58359326) is 4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine.
What is the SMILES notation for 4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine?
The canonical SMILES for 4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine is Cc1nccc(N2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine?
The InChIKey is YXHJUKOQZIJDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-15-8-5-13(16-11)17-9-6-12(7-10-17)14(2,3)4/h5,8,12H,6-7,9-10H2,1-4H3.
What are the key properties of 4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine?
4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine has a molecular weight of 233.36 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine is sourced from PubChem (CID 58359326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).