1-[2-(1-methylpiperidin-2-yl)ethyl]cyclobutan-1-ol

C12H23NO — CID 115073643

IUPAC1-[2-(1-methylpiperidin-2-yl)ethyl]cyclobutan-1-ol
SMILESCN1CCCCC1CCC1(O)CCC1
InChIInChI=1S/C12H23NO/c1-13-10-3-2-5-11(13)6-9-12(14)7-4-8-12/h11,14H,2-10H2,1H3
InChIKeyPLGLMPJLOYMIDT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.17
Rot. Bonds3

About 1-[2-(1-methylpiperidin-2-yl)ethyl]cyclobutan-1-ol

1-[2-(1-methylpiperidin-2-yl)ethyl]cyclobutan-1-ol (PubChem CID 115073643) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-2-yl)ethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-2-yl)ethyl]cyclobutan-1-ol
PubChem CID115073643
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[2-(1-methylpiperidin-2-yl)ethyl]cyclobutan-1-ol
SMILESCN1CCCCC1CCC1(O)CCC1
InChIInChI=1S/C12H23NO/c1-13-10-3-2-5-11(13)6-9-12(14)7-4-8-12/h11,14H,2-10H2,1H3
InChIKeyPLGLMPJLOYMIDT-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]cyclobutan-1-ol?
The IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]cyclobutan-1-ol (CID 115073643) is 1-[2-(1-methylpiperidin-2-yl)ethyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[2-(1-methylpiperidin-2-yl)ethyl]cyclobutan-1-ol?
The canonical SMILES for 1-[2-(1-methylpiperidin-2-yl)ethyl]cyclobutan-1-ol is CN1CCCCC1CCC1(O)CCC1.
What is the InChIKey of 1-[2-(1-methylpiperidin-2-yl)ethyl]cyclobutan-1-ol?
The InChIKey is PLGLMPJLOYMIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-13-10-3-2-5-11(13)6-9-12(14)7-4-8-12/h11,14H,2-10H2,1H3.
What are the key properties of 1-[2-(1-methylpiperidin-2-yl)ethyl]cyclobutan-1-ol?
1-[2-(1-methylpiperidin-2-yl)ethyl]cyclobutan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-2-yl)ethyl]cyclobutan-1-ol is sourced from PubChem (CID 115073643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).