4-cyclononyl-4-(2-hydroxyphenyl)piperidin-3-ol

C20H31NO2 — CID 141019342

IUPAC4-cyclononyl-4-(2-hydroxyphenyl)piperidin-3-ol
SMILESOc1ccccc1C1(C2CCCCCCCC2)CCNCC1O
InChIInChI=1S/C20H31NO2/c22-18-12-8-7-11-17(18)20(13-14-21-15-19(20)23)16-9-5-3-1-2-4-6-10-16/h7-8,11-12,16,19,21-23H,1-6,9-10,13-15H2
InChIKeyVXXYPOHINLWKJI-UHFFFAOYSA-N
MW317.47 g/mol
LogP3.73
Rot. Bonds2

About 4-cyclononyl-4-(2-hydroxyphenyl)piperidin-3-ol

4-cyclononyl-4-(2-hydroxyphenyl)piperidin-3-ol (PubChem CID 141019342) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 4-cyclononyl-4-(2-hydroxyphenyl)piperidin-3-ol.

Molecular Properties

Compound Name4-cyclononyl-4-(2-hydroxyphenyl)piperidin-3-ol
PubChem CID141019342
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name4-cyclononyl-4-(2-hydroxyphenyl)piperidin-3-ol
SMILESOc1ccccc1C1(C2CCCCCCCC2)CCNCC1O
InChIInChI=1S/C20H31NO2/c22-18-12-8-7-11-17(18)20(13-14-21-15-19(20)23)16-9-5-3-1-2-4-6-10-16/h7-8,11-12,16,19,21-23H,1-6,9-10,13-15H2
InChIKeyVXXYPOHINLWKJI-UHFFFAOYSA-N
XLogP3.73
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride
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3-(1-phenylcyclopropyl)piperidine;hydrochloride
CID 162342001
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4-cyclohexylpiperidin-4-ol
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Frequently Asked Questions

What is the IUPAC name of 4-cyclononyl-4-(2-hydroxyphenyl)piperidin-3-ol?
The IUPAC name of 4-cyclononyl-4-(2-hydroxyphenyl)piperidin-3-ol (CID 141019342) is 4-cyclononyl-4-(2-hydroxyphenyl)piperidin-3-ol.
What is the SMILES notation for 4-cyclononyl-4-(2-hydroxyphenyl)piperidin-3-ol?
The canonical SMILES for 4-cyclononyl-4-(2-hydroxyphenyl)piperidin-3-ol is Oc1ccccc1C1(C2CCCCCCCC2)CCNCC1O.
What is the InChIKey of 4-cyclononyl-4-(2-hydroxyphenyl)piperidin-3-ol?
The InChIKey is VXXYPOHINLWKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c22-18-12-8-7-11-17(18)20(13-14-21-15-19(20)23)16-9-5-3-1-2-4-6-10-16/h7-8,11-12,16,19,21-23H,1-6,9-10,13-15H2.
What are the key properties of 4-cyclononyl-4-(2-hydroxyphenyl)piperidin-3-ol?
4-cyclononyl-4-(2-hydroxyphenyl)piperidin-3-ol has a molecular weight of 317.47 g/mol, XLogP of 3.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclononyl-4-(2-hydroxyphenyl)piperidin-3-ol is sourced from PubChem (CID 141019342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).