6-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,4-oxazepan-6-ol

C17H28N4O2 — CID 70769565

IUPAC6-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,4-oxazepan-6-ol
SMILESOC1(CN2CCN(CCc3ccccn3)CC2)CNCCOC1
InChIInChI=1S/C17H28N4O2/c22-17(13-18-6-12-23-15-17)14-21-10-8-20(9-11-21)7-4-16-3-1-2-5-19-16/h1-3,5,18,22H,4,6-15H2
InChIKeyDRIPUGIVCLQEMJ-UHFFFAOYSA-N
MW320.44 g/mol
LogP-0.41
Rot. Bonds5

About 6-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,4-oxazepan-6-ol

6-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,4-oxazepan-6-ol (PubChem CID 70769565) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name6-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,4-oxazepan-6-ol
PubChem CID70769565
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name6-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,4-oxazepan-6-ol
SMILESOC1(CN2CCN(CCc3ccccn3)CC2)CNCCOC1
InChIInChI=1S/C17H28N4O2/c22-17(13-18-6-12-23-15-17)14-21-10-8-20(9-11-21)7-4-16-3-1-2-5-19-16/h1-3,5,18,22H,4,6-15H2
InChIKeyDRIPUGIVCLQEMJ-UHFFFAOYSA-N
XLogP-0.41
TPSA60.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,4-oxazepan-6-ol?
The IUPAC name of 6-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,4-oxazepan-6-ol (CID 70769565) is 6-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,4-oxazepan-6-ol.
What is the SMILES notation for 6-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,4-oxazepan-6-ol?
The canonical SMILES for 6-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,4-oxazepan-6-ol is OC1(CN2CCN(CCc3ccccn3)CC2)CNCCOC1.
What is the InChIKey of 6-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,4-oxazepan-6-ol?
The InChIKey is DRIPUGIVCLQEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c22-17(13-18-6-12-23-15-17)14-21-10-8-20(9-11-21)7-4-16-3-1-2-5-19-16/h1-3,5,18,22H,4,6-15H2.
What are the key properties of 6-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,4-oxazepan-6-ol?
6-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,4-oxazepan-6-ol has a molecular weight of 320.44 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,4-oxazepan-6-ol is sourced from PubChem (CID 70769565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).