2-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol

C11H17ClN4O — CID 75482946

IUPAC2-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol
SMILESOCCNC1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C11H17ClN4O/c12-9-7-14-11(15-8-9)16-4-1-10(2-5-16)13-3-6-17/h7-8,10,13,17H,1-6H2
InChIKeyAMHMKYWOLKTSRX-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.68
Rot. Bonds4

About 2-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol

2-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol (PubChem CID 75482946) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol
PubChem CID75482946
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol
SMILESOCCNC1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C11H17ClN4O/c12-9-7-14-11(15-8-9)16-4-1-10(2-5-16)13-3-6-17/h7-8,10,13,17H,1-6H2
InChIKeyAMHMKYWOLKTSRX-UHFFFAOYSA-N
XLogP0.68
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol (CID 75482946) is 2-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol is OCCNC1CCN(c2ncc(Cl)cn2)CC1.
What is the InChIKey of 2-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol?
The InChIKey is AMHMKYWOLKTSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c12-9-7-14-11(15-8-9)16-4-1-10(2-5-16)13-3-6-17/h7-8,10,13,17H,1-6H2.
What are the key properties of 2-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol?
2-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol has a molecular weight of 256.74 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]amino]ethanol is sourced from PubChem (CID 75482946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).