1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol

C17H27NO2 — CID 114337924

IUPAC1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol
SMILESCOc1ccc(CCN2CCCCC2CC(C)O)cc1
InChIInChI=1S/C17H27NO2/c1-14(19)13-16-5-3-4-11-18(16)12-10-15-6-8-17(20-2)9-7-15/h6-9,14,16,19H,3-5,10-13H2,1-2H3
InChIKeyDVWOOMIEYCMSKQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.86
Rot. Bonds6

About 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol

1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol (PubChem CID 114337924) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol
PubChem CID114337924
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol
SMILESCOc1ccc(CCN2CCCCC2CC(C)O)cc1
InChIInChI=1S/C17H27NO2/c1-14(19)13-16-5-3-4-11-18(16)12-10-15-6-8-17(20-2)9-7-15/h6-9,14,16,19H,3-5,10-13H2,1-2H3
InChIKeyDVWOOMIEYCMSKQ-UHFFFAOYSA-N
XLogP2.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol (CID 114337924) is 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol is COc1ccc(CCN2CCCCC2CC(C)O)cc1.
What is the InChIKey of 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol?
The InChIKey is DVWOOMIEYCMSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14(19)13-16-5-3-4-11-18(16)12-10-15-6-8-17(20-2)9-7-15/h6-9,14,16,19H,3-5,10-13H2,1-2H3.
What are the key properties of 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol?
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 114337924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).