2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol

C17H34N2O2 — CID 82685623

IUPAC2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol
SMILESCNCC1(CN2CCC(OCCO)CC2)CCCCCC1
InChIInChI=1S/C17H34N2O2/c1-18-14-17(8-4-2-3-5-9-17)15-19-10-6-16(7-11-19)21-13-12-20/h16,18,20H,2-15H2,1H3
InChIKeyXDIYGAGVQGQWAX-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.02
Rot. Bonds7

About 2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol

2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol (PubChem CID 82685623) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol
PubChem CID82685623
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol
SMILESCNCC1(CN2CCC(OCCO)CC2)CCCCCC1
InChIInChI=1S/C17H34N2O2/c1-18-14-17(8-4-2-3-5-9-17)15-19-10-6-16(7-11-19)21-13-12-20/h16,18,20H,2-15H2,1H3
InChIKeyXDIYGAGVQGQWAX-UHFFFAOYSA-N
XLogP2.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol (CID 82685623) is 2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol is CNCC1(CN2CCC(OCCO)CC2)CCCCCC1.
What is the InChIKey of 2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol?
The InChIKey is XDIYGAGVQGQWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-18-14-17(8-4-2-3-5-9-17)15-19-10-6-16(7-11-19)21-13-12-20/h16,18,20H,2-15H2,1H3.
What are the key properties of 2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol?
2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol has a molecular weight of 298.47 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82685623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).