1-[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]phenyl]ethanol

C18H27NO2 — CID 10085583

IUPAC1-[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]phenyl]ethanol
SMILESCC(O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C18H27NO2/c1-14(20)17-4-6-18(7-5-17)21-13-16-8-10-19(11-9-16)12-15-2-3-15/h4-7,14-16,20H,2-3,8-13H2,1H3
InChIKeyGTKCLGFNNRQQBP-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.24
Rot. Bonds6

About 1-[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]phenyl]ethanol

1-[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]phenyl]ethanol (PubChem CID 10085583) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]phenyl]ethanol
PubChem CID10085583
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]phenyl]ethanol
SMILESCC(O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C18H27NO2/c1-14(20)17-4-6-18(7-5-17)21-13-16-8-10-19(11-9-16)12-15-2-3-15/h4-7,14-16,20H,2-3,8-13H2,1H3
InChIKeyGTKCLGFNNRQQBP-UHFFFAOYSA-N
XLogP3.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]phenyl]ethanol (CID 10085583) is 1-[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]phenyl]ethanol is CC(O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 1-[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]phenyl]ethanol?
The InChIKey is GTKCLGFNNRQQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14(20)17-4-6-18(7-5-17)21-13-16-8-10-19(11-9-16)12-15-2-3-15/h4-7,14-16,20H,2-3,8-13H2,1H3.
What are the key properties of 1-[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]phenyl]ethanol?
1-[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]phenyl]ethanol has a molecular weight of 289.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]phenyl]ethanol is sourced from PubChem (CID 10085583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).