2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol

C16H27N3O2 — CID 82684948

IUPAC2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol
SMILESCCCNc1cc(CN2CCC(OCCO)CC2)ccn1
InChIInChI=1S/C16H27N3O2/c1-2-6-17-16-12-14(3-7-18-16)13-19-8-4-15(5-9-19)21-11-10-20/h3,7,12,15,20H,2,4-6,8-11,13H2,1H3,(H,17,18)
InChIKeyPQXKDWWNXTZHSJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.88
Rot. Bonds8

About 2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol

2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol (PubChem CID 82684948) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol
PubChem CID82684948
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol
SMILESCCCNc1cc(CN2CCC(OCCO)CC2)ccn1
InChIInChI=1S/C16H27N3O2/c1-2-6-17-16-12-14(3-7-18-16)13-19-8-4-15(5-9-19)21-11-10-20/h3,7,12,15,20H,2,4-6,8-11,13H2,1H3,(H,17,18)
InChIKeyPQXKDWWNXTZHSJ-UHFFFAOYSA-N
XLogP1.88
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol (CID 82684948) is 2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol is CCCNc1cc(CN2CCC(OCCO)CC2)ccn1.
What is the InChIKey of 2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol?
The InChIKey is PQXKDWWNXTZHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-6-17-16-12-14(3-7-18-16)13-19-8-4-15(5-9-19)21-11-10-20/h3,7,12,15,20H,2,4-6,8-11,13H2,1H3,(H,17,18).
What are the key properties of 2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol?
2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol has a molecular weight of 293.41 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(propylamino)-4-pyridinyl]methyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82684948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).