4-(ethylaminomethyl)-1-methylpiperidin-4-ol

C9H20N2O — CID 22097496

IUPAC4-(ethylaminomethyl)-1-methylpiperidin-4-ol
SMILESCCNCC1(O)CCN(C)CC1
InChIInChI=1S/C9H20N2O/c1-3-10-8-9(12)4-6-11(2)7-5-9/h10,12H,3-8H2,1-2H3
InChIKeyBVAGIEIKOUJDJC-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds3

About 4-(ethylaminomethyl)-1-methylpiperidin-4-ol

4-(ethylaminomethyl)-1-methylpiperidin-4-ol (PubChem CID 22097496) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(ethylaminomethyl)-1-methylpiperidin-4-ol
PubChem CID22097496
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-(ethylaminomethyl)-1-methylpiperidin-4-ol
SMILESCCNCC1(O)CCN(C)CC1
InChIInChI=1S/C9H20N2O/c1-3-10-8-9(12)4-6-11(2)7-5-9/h10,12H,3-8H2,1-2H3
InChIKeyBVAGIEIKOUJDJC-UHFFFAOYSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(ethylaminomethyl)-1-methylpiperidin-4-ol (CID 22097496) is 4-(ethylaminomethyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(ethylaminomethyl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(ethylaminomethyl)-1-methylpiperidin-4-ol is CCNCC1(O)CCN(C)CC1.
What is the InChIKey of 4-(ethylaminomethyl)-1-methylpiperidin-4-ol?
The InChIKey is BVAGIEIKOUJDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-10-8-9(12)4-6-11(2)7-5-9/h10,12H,3-8H2,1-2H3.
What are the key properties of 4-(ethylaminomethyl)-1-methylpiperidin-4-ol?
4-(ethylaminomethyl)-1-methylpiperidin-4-ol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 22097496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).