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

C15H30N2O2 — CID 82696663

IUPAC2-[1-[2-(aminomethyl)cycloheptyl]piperidin-4-yl]oxyethanol
SMILESNCC1CCCCCC1N1CCC(OCCO)CC1
InChIInChI=1S/C15H30N2O2/c16-12-13-4-2-1-3-5-15(13)17-8-6-14(7-9-17)19-11-10-18/h13-15,18H,1-12,16H2
InChIKeyPOVHBLNYZCOEFT-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.37
Rot. Bonds5

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

2-[1-[2-(aminomethyl)cycloheptyl]piperidin-4-yl]oxyethanol (PubChem CID 82696663) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[1-[2-(aminomethyl)cycloheptyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[2-(aminomethyl)cycloheptyl]piperidin-4-yl]oxyethanol
PubChem CID82696663
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[1-[2-(aminomethyl)cycloheptyl]piperidin-4-yl]oxyethanol
SMILESNCC1CCCCCC1N1CCC(OCCO)CC1
InChIInChI=1S/C15H30N2O2/c16-12-13-4-2-1-3-5-15(13)17-8-6-14(7-9-17)19-11-10-18/h13-15,18H,1-12,16H2
InChIKeyPOVHBLNYZCOEFT-UHFFFAOYSA-N
XLogP1.37
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(aminomethyl)cycloheptyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[2-(aminomethyl)cycloheptyl]piperidin-4-yl]oxyethanol (CID 82696663) is 2-[1-[2-(aminomethyl)cycloheptyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[2-(aminomethyl)cycloheptyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[2-(aminomethyl)cycloheptyl]piperidin-4-yl]oxyethanol is NCC1CCCCCC1N1CCC(OCCO)CC1.
What is the InChIKey of 2-[1-[2-(aminomethyl)cycloheptyl]piperidin-4-yl]oxyethanol?
The InChIKey is POVHBLNYZCOEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c16-12-13-4-2-1-3-5-15(13)17-8-6-14(7-9-17)19-11-10-18/h13-15,18H,1-12,16H2.
What are the key properties of 2-[1-[2-(aminomethyl)cycloheptyl]piperidin-4-yl]oxyethanol?
2-[1-[2-(aminomethyl)cycloheptyl]piperidin-4-yl]oxyethanol has a molecular weight of 270.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(aminomethyl)cycloheptyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82696663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).