2-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]ethanol

C16H26N4O — CID 133496417

IUPAC2-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C16H26N4O/c21-10-7-13-5-4-6-14(13)19-15-11-16(18-12-17-15)20-8-2-1-3-9-20/h11-14,21H,1-10H2,(H,17,18,19)
InChIKeyNOXODMMJDFVLLD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.43
Rot. Bonds5

About 2-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]ethanol

2-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]ethanol (PubChem CID 133496417) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]ethanol
PubChem CID133496417
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C16H26N4O/c21-10-7-13-5-4-6-14(13)19-15-11-16(18-12-17-15)20-8-2-1-3-9-20/h11-14,21H,1-10H2,(H,17,18,19)
InChIKeyNOXODMMJDFVLLD-UHFFFAOYSA-N
XLogP2.43
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]ethanol?
The IUPAC name of 2-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]ethanol (CID 133496417) is 2-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]ethanol.
What is the SMILES notation for 2-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]ethanol?
The canonical SMILES for 2-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]ethanol is OCCC1CCCC1Nc1cc(N2CCCCC2)ncn1.
What is the InChIKey of 2-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]ethanol?
The InChIKey is NOXODMMJDFVLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c21-10-7-13-5-4-6-14(13)19-15-11-16(18-12-17-15)20-8-2-1-3-9-20/h11-14,21H,1-10H2,(H,17,18,19).
What are the key properties of 2-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]ethanol?
2-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]ethanol has a molecular weight of 290.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]cyclopentyl]ethanol is sourced from PubChem (CID 133496417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).