2-methyl-2-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]butan-1-ol

C15H26N4O — CID 81412995

IUPAC2-methyl-2-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNC1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H26N4O/c1-3-15(2,12-20)11-18-13-6-4-9-19(10-13)14-16-7-5-8-17-14/h5,7-8,13,18,20H,3-4,6,9-12H2,1-2H3
InChIKeyRDDXJXLKOAIMQC-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.44
Rot. Bonds6

About 2-methyl-2-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]butan-1-ol

2-methyl-2-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]butan-1-ol (PubChem CID 81412995) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methyl-2-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]butan-1-ol
PubChem CID81412995
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-methyl-2-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNC1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H26N4O/c1-3-15(2,12-20)11-18-13-6-4-9-19(10-13)14-16-7-5-8-17-14/h5,7-8,13,18,20H,3-4,6,9-12H2,1-2H3
InChIKeyRDDXJXLKOAIMQC-UHFFFAOYSA-N
XLogP1.44
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]butan-1-ol (CID 81412995) is 2-methyl-2-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]butan-1-ol is CCC(C)(CO)CNC1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-methyl-2-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]butan-1-ol?
The InChIKey is RDDXJXLKOAIMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-15(2,12-20)11-18-13-6-4-9-19(10-13)14-16-7-5-8-17-14/h5,7-8,13,18,20H,3-4,6,9-12H2,1-2H3.
What are the key properties of 2-methyl-2-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]butan-1-ol?
2-methyl-2-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]butan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 81412995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).