1-[(R)-[(2R)-2-oct-7-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol

C30H37NO — CID 45276683

IUPAC1-[(R)-[(2R)-2-oct-7-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol
SMILESC=CCCCCCC[C@@H]1CCCCN1[C@H](c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C30H37NO/c1-2-3-4-5-6-10-18-26-19-13-14-23-31(26)30(25-16-8-7-9-17-25)29-27-20-12-11-15-24(27)21-22-28(29)32/h2,7-9,11-12,15-17,20-22,26,30,32H,1,3-6,10,13-14,18-19,23H2/t26-,30-/m1/s1
InChIKeyOTVHTGOXMLKUIJ-PDDLMNHVSA-N
MW427.63 g/mol
LogP8.02
Rot. Bonds10

About 1-[(R)-[(2R)-2-oct-7-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol

1-[(R)-[(2R)-2-oct-7-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol (PubChem CID 45276683) has the molecular formula C30H37NO and a molecular weight of 427.63 g/mol. Its IUPAC name is 1-[(R)-[(2R)-2-oct-7-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(R)-[(2R)-2-oct-7-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol
PubChem CID45276683
Molecular FormulaC30H37NO
Molecular Weight427.63 g/mol
Exact Mass427.29
IUPAC Name1-[(R)-[(2R)-2-oct-7-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol
SMILESC=CCCCCCC[C@@H]1CCCCN1[C@H](c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C30H37NO/c1-2-3-4-5-6-10-18-26-19-13-14-23-31(26)30(25-16-8-7-9-17-25)29-27-20-12-11-15-24(27)21-22-28(29)32/h2,7-9,11-12,15-17,20-22,26,30,32H,1,3-6,10,13-14,18-19,23H2/t26-,30-/m1/s1
InChIKeyOTVHTGOXMLKUIJ-PDDLMNHVSA-N
XLogP8.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.63
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[(2R)-2-oct-7-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol?
The IUPAC name of 1-[(R)-[(2R)-2-oct-7-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol (CID 45276683) is 1-[(R)-[(2R)-2-oct-7-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(R)-[(2R)-2-oct-7-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(R)-[(2R)-2-oct-7-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol is C=CCCCCCC[C@@H]1CCCCN1[C@H](c1ccccc1)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(R)-[(2R)-2-oct-7-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol?
The InChIKey is OTVHTGOXMLKUIJ-PDDLMNHVSA-N. The full InChI is InChI=1S/C30H37NO/c1-2-3-4-5-6-10-18-26-19-13-14-23-31(26)30(25-16-8-7-9-17-25)29-27-20-12-11-15-24(27)21-22-28(29)32/h2,7-9,11-12,15-17,20-22,26,30,32H,1,3-6,10,13-14,18-19,23H2/t26-,30-/m1/s1.
What are the key properties of 1-[(R)-[(2R)-2-oct-7-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol?
1-[(R)-[(2R)-2-oct-7-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol has a molecular weight of 427.63 g/mol, XLogP of 8.02, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-[(2R)-2-oct-7-enylpiperidin-1-yl]-phenylmethyl]naphthalen-2-ol is sourced from PubChem (CID 45276683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).