2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol

C16H25N3O2 — CID 123310155

IUPAC2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
SMILESCCOc1cnc(N2CCC(C3CC3CCO)CC2)nc1
InChIInChI=1S/C16H25N3O2/c1-2-21-14-10-17-16(18-11-14)19-6-3-12(4-7-19)15-9-13(15)5-8-20/h10-13,15,20H,2-9H2,1H3
InChIKeyPKBJBWCWOOVLSC-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.11
Rot. Bonds6

About 2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol

2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol (PubChem CID 123310155) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
PubChem CID123310155
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
SMILESCCOc1cnc(N2CCC(C3CC3CCO)CC2)nc1
InChIInChI=1S/C16H25N3O2/c1-2-21-14-10-17-16(18-11-14)19-6-3-12(4-7-19)15-9-13(15)5-8-20/h10-13,15,20H,2-9H2,1H3
InChIKeyPKBJBWCWOOVLSC-UHFFFAOYSA-N
XLogP2.11
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol?
The IUPAC name of 2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol (CID 123310155) is 2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol?
The canonical SMILES for 2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol is CCOc1cnc(N2CCC(C3CC3CCO)CC2)nc1.
What is the InChIKey of 2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol?
The InChIKey is PKBJBWCWOOVLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-21-14-10-17-16(18-11-14)19-6-3-12(4-7-19)15-9-13(15)5-8-20/h10-13,15,20H,2-9H2,1H3.
What are the key properties of 2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol?
2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol has a molecular weight of 291.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(5-ethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol is sourced from PubChem (CID 123310155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).