1-(2-methylpiperidin-3-yl)-2H-pyrimidine

C10H17N3 — CID 175968268

IUPAC1-(2-methylpiperidin-3-yl)-2H-pyrimidine
SMILESCC1NCCCC1N1C=CC=NC1
InChIInChI=1S/C10H17N3/c1-9-10(4-2-6-12-9)13-7-3-5-11-8-13/h3,5,7,9-10,12H,2,4,6,8H2,1H3
InChIKeyQQRIBFGAIZUTKI-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.98
Rot. Bonds1

About 1-(2-methylpiperidin-3-yl)-2H-pyrimidine

1-(2-methylpiperidin-3-yl)-2H-pyrimidine (PubChem CID 175968268) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(2-methylpiperidin-3-yl)-2H-pyrimidine.

Molecular Properties

Compound Name1-(2-methylpiperidin-3-yl)-2H-pyrimidine
PubChem CID175968268
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(2-methylpiperidin-3-yl)-2H-pyrimidine
SMILESCC1NCCCC1N1C=CC=NC1
InChIInChI=1S/C10H17N3/c1-9-10(4-2-6-12-9)13-7-3-5-11-8-13/h3,5,7,9-10,12H,2,4,6,8H2,1H3
InChIKeyQQRIBFGAIZUTKI-UHFFFAOYSA-N
XLogP0.98
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-3-yl)-2H-pyrimidine?
The IUPAC name of 1-(2-methylpiperidin-3-yl)-2H-pyrimidine (CID 175968268) is 1-(2-methylpiperidin-3-yl)-2H-pyrimidine.
What is the SMILES notation for 1-(2-methylpiperidin-3-yl)-2H-pyrimidine?
The canonical SMILES for 1-(2-methylpiperidin-3-yl)-2H-pyrimidine is CC1NCCCC1N1C=CC=NC1.
What is the InChIKey of 1-(2-methylpiperidin-3-yl)-2H-pyrimidine?
The InChIKey is QQRIBFGAIZUTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9-10(4-2-6-12-9)13-7-3-5-11-8-13/h3,5,7,9-10,12H,2,4,6,8H2,1H3.
What are the key properties of 1-(2-methylpiperidin-3-yl)-2H-pyrimidine?
1-(2-methylpiperidin-3-yl)-2H-pyrimidine has a molecular weight of 179.27 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-3-yl)-2H-pyrimidine is sourced from PubChem (CID 175968268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).