2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol

C14H18ClN5O — CID 22560536

IUPAC2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1cc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C14H18ClN5O/c15-12-9-13(18-14(17-12)19-7-5-16-10-19)20-6-2-1-3-11(20)4-8-21/h5,7,9-11,21H,1-4,6,8H2
InChIKeyNKLYYMBYLUUGQD-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.06
Rot. Bonds4

About 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol

2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol (PubChem CID 22560536) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
PubChem CID22560536
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1cc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C14H18ClN5O/c15-12-9-13(18-14(17-12)19-7-5-16-10-19)20-6-2-1-3-11(20)4-8-21/h5,7,9-11,21H,1-4,6,8H2
InChIKeyNKLYYMBYLUUGQD-UHFFFAOYSA-N
XLogP2.06
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol (CID 22560536) is 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol is OCCC1CCCCN1c1cc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The InChIKey is NKLYYMBYLUUGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c15-12-9-13(18-14(17-12)19-7-5-16-10-19)20-6-2-1-3-11(20)4-8-21/h5,7,9-11,21H,1-4,6,8H2.
What are the key properties of 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol?
2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol has a molecular weight of 307.79 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 22560536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).