[1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol

C15H22N4O — CID 82247966

IUPAC[1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ncccc2C2=NCCCN2)CC1
InChIInChI=1S/C15H22N4O/c20-11-12-4-9-19(10-5-12)15-13(3-1-6-18-15)14-16-7-2-8-17-14/h1,3,6,12,20H,2,4-5,7-11H2,(H,16,17)
InChIKeyAXLLQHCCCQWZKL-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.03
Rot. Bonds3

About [1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol

[1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol (PubChem CID 82247966) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol
PubChem CID82247966
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ncccc2C2=NCCCN2)CC1
InChIInChI=1S/C15H22N4O/c20-11-12-4-9-19(10-5-12)15-13(3-1-6-18-15)14-16-7-2-8-17-14/h1,3,6,12,20H,2,4-5,7-11H2,(H,16,17)
InChIKeyAXLLQHCCCQWZKL-UHFFFAOYSA-N
XLogP1.03
TPSA60.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol (CID 82247966) is [1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol is OCC1CCN(c2ncccc2C2=NCCCN2)CC1.
What is the InChIKey of [1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol?
The InChIKey is AXLLQHCCCQWZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-11-12-4-9-19(10-5-12)15-13(3-1-6-18-15)14-16-7-2-8-17-14/h1,3,6,12,20H,2,4-5,7-11H2,(H,16,17).
What are the key properties of [1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol?
[1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol has a molecular weight of 274.37 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidin-4-yl]methanol is sourced from PubChem (CID 82247966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).