2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol

C12H23NO — CID 166141791

IUPAC2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol
SMILESCC1(CN2CCC(CCO)CC2)CC1
InChIInChI=1S/C12H23NO/c1-12(5-6-12)10-13-7-2-11(3-8-13)4-9-14/h11,14H,2-10H2,1H3
InChIKeyBWLSIBITDXOPAS-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.88
Rot. Bonds4

About 2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol

2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol (PubChem CID 166141791) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol
PubChem CID166141791
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol
SMILESCC1(CN2CCC(CCO)CC2)CC1
InChIInChI=1S/C12H23NO/c1-12(5-6-12)10-13-7-2-11(3-8-13)4-9-14/h11,14H,2-10H2,1H3
InChIKeyBWLSIBITDXOPAS-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol (CID 166141791) is 2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol is CC1(CN2CCC(CCO)CC2)CC1.
What is the InChIKey of 2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol?
The InChIKey is BWLSIBITDXOPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(5-6-12)10-13-7-2-11(3-8-13)4-9-14/h11,14H,2-10H2,1H3.
What are the key properties of 2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol?
2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol has a molecular weight of 197.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 166141791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).