3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol

C17H27NO — CID 21316438

IUPAC3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol
SMILESOC1CC2=C(CC=CC2)CC1CCN1CCCCC1
InChIInChI=1S/C17H27NO/c19-17-13-15-7-3-2-6-14(15)12-16(17)8-11-18-9-4-1-5-10-18/h2-3,16-17,19H,1,4-13H2
InChIKeyINMCMVBIKQWUQG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.28
Rot. Bonds3

About 3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol

3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol (PubChem CID 21316438) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol
PubChem CID21316438
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol
SMILESOC1CC2=C(CC=CC2)CC1CCN1CCCCC1
InChIInChI=1S/C17H27NO/c19-17-13-15-7-3-2-6-14(15)12-16(17)8-11-18-9-4-1-5-10-18/h2-3,16-17,19H,1,4-13H2
InChIKeyINMCMVBIKQWUQG-UHFFFAOYSA-N
XLogP3.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol?
The IUPAC name of 3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol (CID 21316438) is 3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol.
What is the SMILES notation for 3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol?
The canonical SMILES for 3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol is OC1CC2=C(CC=CC2)CC1CCN1CCCCC1.
What is the InChIKey of 3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol?
The InChIKey is INMCMVBIKQWUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c19-17-13-15-7-3-2-6-14(15)12-16(17)8-11-18-9-4-1-5-10-18/h2-3,16-17,19H,1,4-13H2.
What are the key properties of 3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol?
3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol has a molecular weight of 261.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethyl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol is sourced from PubChem (CID 21316438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).