[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol

C13H22N4O — CID 72866545

IUPAC[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol
SMILESCc1cnc(NCCN2CCC(CO)CC2)nc1
InChIInChI=1S/C13H22N4O/c1-11-8-15-13(16-9-11)14-4-7-17-5-2-12(10-18)3-6-17/h8-9,12,18H,2-7,10H2,1H3,(H,14,15,16)
InChIKeyLIKOTGBIRIEQAO-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.90
Rot. Bonds5

About [1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol

[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol (PubChem CID 72866545) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol
PubChem CID72866545
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol
SMILESCc1cnc(NCCN2CCC(CO)CC2)nc1
InChIInChI=1S/C13H22N4O/c1-11-8-15-13(16-9-11)14-4-7-17-5-2-12(10-18)3-6-17/h8-9,12,18H,2-7,10H2,1H3,(H,14,15,16)
InChIKeyLIKOTGBIRIEQAO-UHFFFAOYSA-N
XLogP0.90
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol (CID 72866545) is [1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol is Cc1cnc(NCCN2CCC(CO)CC2)nc1.
What is the InChIKey of [1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol?
The InChIKey is LIKOTGBIRIEQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-8-15-13(16-9-11)14-4-7-17-5-2-12(10-18)3-6-17/h8-9,12,18H,2-7,10H2,1H3,(H,14,15,16).
What are the key properties of [1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol?
[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol has a molecular weight of 250.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 72866545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).